LECTURE 04

🔎 Crystal Structure Hub — FCC Complete Analysis

Face-Centred Cubic (FCC) Crystal Structure

Unit Cell Geometry, Coordination Number, APF Derivation, Slip Systems, Interstitial Sites & Engineering Applications
Tutorial at a Glance

Series: Crystal Structure Hub  |  Level: Undergraduate / Postgraduate  |  Prerequisites: Crystal Structure Intro, Lattice & Basis, Unit Cell & Lattice Parameters

Reading time: 40 minutes  |  Includes: Full geometry, atom counting, APF derivation, CN = 12 proof, slip systems, octahedral/tetrahedral voids, ABCABC stacking, real metals data, worked numericals, MCQs, key takeaways

SEO Keywords: FCC crystal structure, face centred cubic, FCC coordination number 12, FCC atomic packing factor 74 percent, FCC slip systems 12, octahedral tetrahedral interstitial sites FCC, face centred cubic unit cell 4 atoms

4Atoms per unit cell
12Coordination number
74.05%Atomic packing factor
4R = a√2Face diagonal relation
12Slip systems {111}⟨110⟩
ABCABCClose-packed stacking

1. Introduction — Why FCC Is One of the Most Important Crystal Structures

Welcome to this complete analysis of the Face-Centred Cubic (FCC) crystal structure. In the previous lectures of this series, we built the conceptual and mathematical framework of crystallography: what crystal structure means, how any crystal is described by a lattice plus basis, and how the six lattice parameters quantify the geometry of the unit cell. Now we apply this framework to one of the three most important metallic crystal structures — the Face-Centred Cubic (FCC) structure.

FCC is significant for three reasons that make it impossible to study materials science without a thorough understanding of it:

Why Every Materials Scientist Must Know FCC
  • It governs the most ductile and electrically conductive engineering metals: Copper, aluminium, gold, silver, and nickel — which between them account for the majority of the world's electrical wiring, electronic devices, aerospace structures, and jewellery — all crystallise in the FCC structure. Their remarkable ductility, formability, and conductivity are direct consequences of the FCC geometry.
  • It achieves the maximum possible packing efficiency: FCC shares the theoretical maximum packing fraction of 74.05% with the HCP structure — meaning no crystal arrangement of equal spheres can pack atoms more efficiently. Understanding why FCC achieves this limit, and what it means physically, is a fundamental lesson in geometric optimisation.
  • It possesses 12 slip systems — more than any other common crystal structure — which explains why FCC metals are the most ductile of all metallic crystal structures. This directly underpins the engineering of every flexible metal conductor, every drawn wire, and every rolled sheet in modern technology.
Face-Centred Cubic FCC crystal structure unit cell 3D diagram showing 8 corner atoms and 6 face-centre atoms with face diagonal 4R equals a root 2 coordination number 12 APF 74 percent materials science
Fig. 1: The FCC unit cell — 8 corner atoms + 6 face-centre atoms. Atoms touch along the face diagonal (4R = a√2). Coordination number = 12. APF = 74.05%. The FCC unit cell contains 4 atoms. | Source: AdvanceMaterialsLab.com

2. Visualising the FCC Unit Cell

The FCC unit cell belongs to the cubic crystal system, which means all three edge lengths are equal (a = b = c) and all interaxial angles are 90° (α = β = γ = 90°). So the unit cell is a perfect cube. The distinctive feature of FCC — what separates it from Simple Cubic and BCC — is the placement of atoms.

Analogy: The Football Stitch Pattern

Imagine looking at the face of a cube from directly above. You see a square. In Simple Cubic, there is only an atom at each corner of that square. In BCC, there is additionally an atom at the very centre of the square's interior. In FCC, there is an atom at the centre of each face of the cube — like the central button on a cushion, sitting exactly halfway between the four corner atoms on each face. Repeat this for all six faces, and you have the FCC unit cell.

2.1 Atomic Positions in the FCC Unit Cell

In fractional coordinates (each coordinate expressed as a fraction of the lattice parameter a), the atomic positions in the FCC unit cell are:

Corner atoms (8 positions — shared with 7 other unit cells): (0,0,0), (1,0,0), (0,1,0), (0,0,1), (1,1,0), (1,0,1), (0,1,1), (1,1,1) Face-centre atoms (6 positions — shared with 1 adjacent unit cell): (½,½,0), (½,0,½), (0,½,½), (½,½,1), (½,1,½), (1,½,½)

2.2 FCC as Lattice Plus Basis

Using the framework from Lecture 02, the FCC crystal structure is described as:

FCC = FCC Bravais Lattice + One-Atom Basis

The FCC lattice is one of the 14 Bravais lattices. For elemental FCC metals (Cu, Al, Au, Ag, Ni), the basis is a single atom at (0,0,0). The FCC lattice itself already encodes the face-centre positions through its primitive vectors. This distinguishes elemental FCC metals (1-atom basis) from the diamond cubic structure (2-atom basis on FCC lattice) or NaCl (2-atom basis on FCC lattice with different species).

3. Atoms per Unit Cell — Full Derivation

Using the atom-sharing rule from crystallography:

Step 1: Corner atoms

Each corner of the cube is shared equally among 8 adjacent unit cells. Therefore each corner atom contributes 1/8 to our unit cell. With 8 corners:

8 corners × (1/8) = 1 atom

Step 2: Face-centre atoms

Each face-centre atom sits on a face that is shared between exactly 2 adjacent unit cells. Therefore each face atom contributes 1/2. With 6 faces:

6 face-centres × (1/2) = 3 atoms

Step 3: Total atoms per FCC unit cell

N_FCC = 1 (from corners) + 3 (from face-centres) = 4 atoms
Atoms per FCC Unit Cell N = 8 × (1/8) + 6 × (1/2) = 1 + 3 = 4 atoms

This result — 4 atoms per conventional FCC unit cell — is one of the most important numbers in materials science. It means FCC has 4 times as many atoms as Simple Cubic (1 atom) and twice as many as BCC (2 atoms) in their respective conventional unit cells.

FCC unit cell atom count diagram showing corner atoms contributing 1/8 each giving 1 atom and face-centre atoms contributing 1/2 each giving 3 atoms for total 4 atoms per FCC unit cell crystallography materials science
Fig. 2: Atom counting in the FCC unit cell. Each corner atom contributes 1/8 (8 × 1/8 = 1 atom) and each face-centre atom contributes 1/2 (6 × 1/2 = 3 atoms), giving a total of 4 atoms per FCC unit cell. | Source: AdvanceMaterialsLab.com

4. The Face Diagonal — The Touching Direction in FCC

In the hard sphere model, we assume atoms are rigid spheres that touch in at least one direction. In FCC, atoms do not touch along the cube edge (there is a gap between corner atoms) and do not touch along the body diagonal. Instead, FCC atoms touch along the face diagonal — the line connecting two opposite corners of any cube face, passing through the face-centre atom.

Visualising the Face Diagonal Contact

Look at any one face of the FCC cube. You see four corner atoms and one face-centre atom. Draw a diagonal from one corner to the diagonally opposite corner — it passes directly through the face-centre atom. Along this diagonal: corner atom (radius R) → face-centre atom (diameter 2R) → corner atom (radius R). The diagonal therefore spans 4R. Since the face diagonal of a square of side a equals a√2, we have 4R = a√2.

4.1 Relationship Between Lattice Parameter a and Atomic Radius R

The face diagonal of a square face of side a has length a√2. Counting the atomic contact sequence along this diagonal:

4R = a√2 Therefore: a = 4R / √2 = 2√2 R (lattice parameter in terms of R) R = a / (2√2) = a√2 / 4 = 0.3536 a (atomic radius in terms of a)
FCC Key Relationship — Face Diagonal 4R = a√2  ⟹  a = 2√2 R = 2.828 R
Verification with Copper

Copper: a = 0.3615 nm. From 4R = a√2: R = a√2/4 = 0.3615 × 1.4142 / 4 = 0.5115 / 4 = 0.1279 nm = 127.9 pm. The tabulated atomic radius of copper is 128 pm — perfect agreement.

5. Coordination Number — Why CN = 12 in FCC

The coordination number (CN) is the number of atoms directly touching any given atom in the crystal. In FCC, every atom has exactly 12 nearest neighbours — the maximum possible for a single-component crystal structure of equal-sized spheres. This maximum coordination is why FCC and HCP are both called close-packed structures.

5.1 How the 12 Nearest Neighbours Are Distributed

Consider any atom in the FCC crystal — most clearly visualised as a face-centre atom. Its 12 nearest neighbours are distributed in three groups of 4:

The 12 Nearest Neighbours of an FCC Atom
  • 4 neighbours in the same {111} close-packed plane: The atom lies in a hexagonal close-packed layer. Within this layer, it is surrounded by 6 atoms, but 4 of these are at the nearest-neighbour distance.
  • 4 neighbours in the {111} plane above: The layer above fits into the triangular hollows of the current layer, placing 4 atoms at the nearest-neighbour distance directly above.
  • 4 neighbours in the {111} plane below: Symmetrically, 4 atoms at the same distance in the layer directly below.

Total: 4 + 4 + 4 = 12 nearest neighbours. CN = 12.

The nearest-neighbour distance in FCC (the actual touching distance between atom centres) is:

Nearest-neighbour distance = a/√2 = a√2/2 = 2R (atoms touching — confirms hard sphere model)
Why CN = 12 is the Maximum for Equal Spheres

It is a mathematical theorem — proved by the Kepler conjecture, formally resolved in 1998 — that no arrangement of identical spheres can pack more efficiently than 74.05%, and that in any arrangement achieving this maximum, every sphere touches exactly 12 others. FCC and HCP both achieve this theoretical maximum. No cubic or hexagonal crystal structure has CN higher than 12.

6. Atomic Packing Factor — Complete Derivation

The APF measures what fraction of the unit cell volume is actually occupied by atoms. The derivation for FCC is one of the most important calculations in introductory materials science, as covered in detail by Callister and Rethwisch — Materials Science and Engineering.

Step 1: Number of atoms

N = 4 atoms per FCC unit cell

Step 2: Volume of atoms in unit cell

V_atoms = N × (4/3)πR³ = 4 × (4/3)πR³ = (16/3)πR³

Step 3: Express unit cell volume in terms of R

From 4R = a√2: a = 4R/√2 = 2√2 R V_cell = a³ = (2√2 R)³ = 8 × 2√2 × R³ = 16√2 R³

Step 4: Calculate APF

APF = V_atoms / V_cell = [(16/3)πR³] / [16√2 R³] = (16π) / (3 × 16√2) = π / (3√2) APF (FCC) = π/(3√2) = 3.14159 / (3 × 1.4142) = 3.14159 / 4.2426 = 0.7405
Atomic Packing Factor of FCC — Theoretical Maximum APF = π/(3√2) = 0.7405  (74.05%)

The FCC structure achieves the theoretical maximum packing efficiency of 74.05% — 6% more than BCC (68.02%) and 22% more than Simple Cubic (52.36%). The remaining 25.95% of the FCC unit cell volume is empty interstitial space, distributed in octahedral and tetrahedral voids.

7. ABCABC Stacking — The Geometry Behind FCC Close-Packing

One of the most elegant aspects of the FCC structure — and one that is frequently underexplained in introductory courses — is how its unit cell geometry connects to the close-packed layer stacking sequence.

7.1 Close-Packed Planes in FCC

The {111} planes of the FCC crystal are the most densely packed planes — each atom in these planes is surrounded by 6 nearest neighbours within the plane, arranged in a perfect hexagonal pattern. When you stack multiple {111} planes, atoms in each new layer nestle into the triangular hollows of the layer below.

ABCABC vs ABABAB — FCC vs HCP

Close-packed layers can stack in two distinct ways. If Layer A defines the base, and Layer B fills hollows of Layer A, then the third layer can fill one of two sets of hollows:

  • ABCABC... (FCC stacking): The third layer C is positioned above hollows not occupied by Layer A atoms. The 4th layer then repeats A. This 3-layer periodicity defines the FCC structure. The {111} planes are the close-packed planes.
  • ABABAB... (HCP stacking): The third layer returns directly above Layer A atoms. This 2-layer periodicity defines the HCP structure.

Both achieve the same packing efficiency (74.05%) and the same coordination number (12). The difference lies in the stacking sequence — and this difference in geometry creates the different slip systems and mechanical behaviours of FCC vs HCP metals.

This stacking perspective also reveals why FCC has 4 {111} planes (not just 1): the cube has 4 body diagonals, and each defines an independent {111} plane orientation. This is what gives FCC its 12 slip systems (4 planes × 3 directions each).

Atomic packing in FCC crystal structure showing atoms touching along face diagonal 4R equals a root 2 APF 74 percent ABCABC close-packed stacking sequence {111} planes coordination number 12
Fig. 3: Atomic packing in the FCC crystal structure. Atoms touch along the face diagonal (4R = a√2). The {111} planes stack in ABCABC sequence, achieving the theoretical maximum APF = 74.05%. | Source: AdvanceMaterialsLab.com

8. Slip Systems — Why FCC Metals Are Exceptionally Ductile

When a metallic crystal deforms plastically under stress, atomic layers slide over one another along specific crystallographic planes and directions. Each combination of a slip plane and a slip direction is called a slip system. The number of available slip systems determines how easily a material can deform plastically — and therefore how ductile it is.

8.1 FCC Slip Planes and Directions

In FCC, plastic deformation occurs along the most densely packed planes and directions because these offer the lowest energy barrier for dislocation glide:

  • Slip planes: {111} — the close-packed planes. There are 4 independent {111} planes in the cubic system: (111), (1̄11), (11̄1), and (111̄).
  • Slip directions: ⟨110⟩ — the close-packed directions within each {111} plane. Each {111} plane contains 3 independent ⟨110⟩ directions.
Total FCC slip systems = 4 planes × 3 directions per plane = 12 slip systems
FCC Slip Systems {111}⟨110⟩ — 4 planes × 3 directions = 12 slip systems

8.2 Why 12 Slip Systems Means Maximum Ductility

The von Mises criterion states that a polycrystalline material requires at least 5 independent slip systems to undergo arbitrary plastic deformation without fracture. With 12 slip systems, FCC metals far exceed this threshold. No matter which direction you apply stress to an FCC polycrystal, multiple slip systems are simultaneously activated, allowing the crystal to accommodate deformation in all directions.

Slip System Comparison
  • FCC: 12 slip systems {111}⟨110⟩ → highest ductility — Cu, Al, Au can be drawn into fine wires, rolled into foils, stamped into complex shapes
  • BCC: Up to 48 slip systems geometrically, but slip planes are not close-packed → moderate ductility, ductile-to-brittle transition at low temperatures
  • HCP: Only 3 primary slip systems (basal) → limited ductility, most HCP metals are brittle at room temperature

This is why copper wire can be drawn to diameters below 0.1 mm without fracturing, why gold leaf can be beaten to thicknesses of 100 nm, and why aluminium can be rolled into wrapping foil thinner than a human hair. The FCC crystal structure, through its 12 slip systems, is the geometric reason for all of this.

9. Interstitial Voids in the FCC Structure

Even with 74.05% packing efficiency, the FCC structure retains significant interstitial space. The geometry of these void spaces is important for understanding solid solution strengthening, diffusion kinetics, and the behaviour of interstitial atoms (H, C, N, Li) in FCC metals.

9.1 Octahedral Interstitial Sites

An octahedral void is surrounded by 6 FCC atoms arranged at the vertices of a regular octahedron. In the FCC unit cell, octahedral voids are located at:

  • The body centre of the unit cell: position (½,½,½) — 1 site entirely inside the cell
  • The midpoints of all 12 edges of the cube, each shared among 4 unit cells: 12 × (1/4) = 3 sites
Octahedral voids per FCC unit cell = 1 + 3 = 4 Octahedral void radius ratio: r/R = 0.414 (Maximum atom fitting without distortion: r = 0.414 R)
Carbon in Austenite — The Critical Application

Carbon atoms (radius ~77 pm) occupy octahedral interstitial sites in FCC gamma-iron (austenite, R_Fe = 126 pm). The octahedral void radius in FCC iron is 0.414 × 126 = 52 pm. While carbon atoms are still larger than this void, the distortion is manageable — carbon can dissolve up to 2.14 wt% in austenite. This is 100× more than in BCC alpha-iron (0.022 wt%), because BCC octahedral voids (r/R = 0.154) are far smaller. This difference is the physical basis of the entire science of steel metallurgy and heat treatment.

9.2 Tetrahedral Interstitial Sites

Tetrahedral voids are surrounded by 4 FCC atoms arranged at the vertices of a tetrahedron. In the FCC unit cell, there are 8 tetrahedral voids — all located inside the cell at positions like (¼,¼,¼).

Tetrahedral voids per FCC unit cell = 8 Tetrahedral void radius ratio: r/R = 0.225 (Smaller than octahedral voids — only very small atoms fit)
Void TypeNumber per FCC Unit CellLocationRadius ratio r/RExample occupant
Octahedral4Body centre + edge midpoints0.414C in austenite, Li in Cu
Tetrahedral8Interior at (¼,¼,¼) positions0.225H in Pd, small interstitials

The ratio of interstitial sites to FCC atoms is 4 octahedral : 4 atoms = 1 octahedral site per atom, and 8 tetrahedral : 4 atoms = 2 tetrahedral sites per atom. This has profound implications for lithium-ion battery cathode materials, hydrogen storage alloys, and carburisation processes in steel manufacture.

10. Theoretical Density of FCC Metals

Using the standard density formula with n = 4 for FCC:

ρ = (n × A) / (V_c × N_A) = (4 × A) / (a³ × N_A) Where: n = 4 (FCC — always) A = atomic mass (g/mol) a = lattice parameter in cm (1 nm = 10⁻⁷ cm) N_A = 6.022 × 10²³ mol⁻¹
Unit Conversion — Critical Step

Lattice parameters in crystallographic databases are given in nm or Å. Convert to cm before calculating density:

1 nm = 10⁻⁷ cm  |  1 Å = 10⁻⁸ cm

Example: a(Cu) = 0.3615 nm = 3.615 × 10⁻⁸ cm → a³ = (3.615)³ × 10⁻²⁴ = 47.27 × 10⁻²⁴ cm³

11. Common FCC Metals and Engineering Applications

MetalSymbola (nm)R (pm)ρ (g/cm³)Key Engineering Applications
AluminiumAl0.40501432.70Aerospace, automotive, packaging, transmission lines
CopperCu0.36151288.94Electrical wiring, PCBs, heat exchangers, plumbing
GoldAu0.407814419.30Electronic connectors, bonding wires, corrosion-resistant contacts
SilverAg0.408614410.49Photography, mirrors, antimicrobial surfaces, solar cells
NickelNi0.35241258.91Superalloys (jet engines), batteries (NiMH), plating
LeadPb0.495017511.34Radiation shielding, batteries, solders
PlatinumPt0.392413921.45Catalytic converters, fuel cells, jewellery
PalladiumPd0.389013712.02Hydrogen storage, catalysis, electronics
Iron's Allotropy — When Iron Becomes FCC

Iron undergoes allotropic transformation: below 912°C it is BCC (alpha-iron, ferrite), between 912°C and 1394°C it is FCC (gamma-iron, austenite), and above 1394°C it returns to BCC (delta-iron). The FCC gamma-iron phase is crucial for steel heat treatment — it can dissolve up to 2.14 wt% carbon (vs 0.022 wt% in BCC alpha-iron), enabling the formation of martensite during quenching. Without the BCC↔FCC transformation in iron, the entire technology of steel heat treatment — and the structural steel industry — would not exist.

12. FCC vs BCC vs HCP — Master Comparison

PropertyFCCBCCHCP
Atoms per unit cell426
Coordination number12812
Touching directionFace diagonal [110]Body diagonal [111]Basal plane edge [1120]
a vs Ra = 2√2 Ra = 4R/√3a = 2R
APF (exact)π/(3√2)π√3/8π/(3√2)
APF (%)74.05%68.02%74.05%
Void fraction25.95%31.98%25.95%
Octahedral void r/R0.4140.1540.414
Stacking sequenceABCABC {111}Not close-packedABABAB (0001)
Slip systems12 {111}⟨110⟩Up to 483 basal (primary)
DuctilityHighestModerateLow–Moderate
DBTTNoYesPartial
C solubility2.14 wt% (austenite)0.022 wt% (ferrite)Varies
Example metalsCu, Al, Au, Ag, NiFe, Cr, W, Mo, VMg, Ti, Zn, Co

13. Advanced Frontier: FCC in Nanomaterials and Quantum Devices (2025)

The FCC crystal structure continues to underpin cutting-edge research in 2025–2026, demonstrating that understanding this classical structure opens doors to entirely new physics.

13.1 FCC Gold and Silver Nanoparticles

Metallic nanoparticles of gold, silver, and platinum maintain their FCC crystal structure down to diameters of ~2 nm (containing only a few hundred atoms), but their properties diverge dramatically from bulk FCC metals. At the nanoscale, the surface-to-volume ratio becomes enormous, and a large fraction of atoms occupy surface sites with reduced coordination number. This creates quantum confinement effects, surface plasmon resonance, and exceptional catalytic activity. Gold nanoparticles exhibiting FCC structure are used as contrast agents in biological imaging, photothermal cancer therapy agents, and surface-enhanced Raman spectroscopy (SERS) substrates.

13.2 High-Entropy Alloys — Multi-Principal FCC Structures

A recent revolution in alloy design is the development of high-entropy alloys (HEAs) — alloys containing five or more principal elements in near-equimolar proportions. Remarkably, many of these complex, chemically disordered alloys adopt a single FCC crystal structure, despite their chemical complexity. The celebrated CrMnFeCoNi Cantor alloy (equimolar, all elements) adopts a single-phase FCC structure and exhibits exceptional fracture toughness — including at cryogenic temperatures where BCC steels become brittle. Research published in Science (2014) by Gludovatz et al. demonstrated that this FCC HEA maintains toughness exceeding 200 MPa·m^½ at liquid nitrogen temperatures — significantly better than most conventional alloys.

13.3 FCC Topological Metals

Several newly discovered topological quantum materials adopt FCC crystal structures. The Weyl semimetals and topological nodal-line semimetals in the FCC family have linear band crossings protected by the crystal symmetry of the FCC lattice — particularly its time-reversal and inversion symmetries. The ability to predict and design such materials relies entirely on understanding the FCC reciprocal lattice (its first Brillouin zone is a truncated octahedron) and how electronic states transform under the FCC symmetry operations.

14. Solved Numerical Problems

Problem 1 — Atomic radius of gold from its FCC lattice parameter Gold has an FCC crystal structure with a = 0.4078 nm. Calculate its atomic radius. Solution:

For FCC, atoms touch along the face diagonal: 4R = a√2

R = a√2 / 4 = (0.4078 × 1.4142) / 4 = 0.5767 / 4 = 0.1442 nm = 144.2 pm ✔

Tabulated atomic radius of Au = 144 pm — excellent agreement.

Problem 2 — Theoretical density of aluminium (FCC) Aluminium: FCC structure, a = 0.4050 nm, atomic mass = 26.98 g/mol. Calculate theoretical density. Solution: n = 4 (FCC) a = 0.4050 nm = 4.050 × 10⁻⁸ cm V_c = a³ = (4.050 × 10⁻⁸)³ = 66.43 × 10⁻²⁴ cm³ ρ = (4 × 26.98) / (66.43 × 10⁻²⁴ × 6.022 × 10²³) = 107.92 / 40.00 = 2.698 g/cm³ ✔

Experimentally measured density of Al = 2.699 g/cm³ — essentially exact agreement.

Problem 3 — Maximum carbon solubility: octahedral void in FCC iron FCC gamma-iron (austenite) has a = 0.3640 nm, R_Fe = 126 pm. What is the radius of the largest atom that can fit in an octahedral void without distortion? Compare with the carbon atomic radius (77 pm). Solution: For FCC octahedral void: r_void = 0.414 × R_Fe r_void = 0.414 × 126 pm = 52.2 pm Carbon atomic radius = 77 pm > 52.2 pm Carbon is larger than the undistorted octahedral void by a factor of: 77 / 52.2 = 1.48 (48% larger than the void) But the FCC lattice is relatively elastic and accommodates this distortion, allowing up to 2.14 wt% C dissolution in austenite. ✔

This calculation explains why carbon dissolves in austenite with significant lattice strain, contributing to the hardening of steel during rapid cooling (quenching).

Problem 4 — Derive APF for FCC from first principles Derive the APF of FCC, expressing your answer as an exact fraction and decimal. Solution: Step 1: N = 4 atoms per FCC unit cell Step 2: V_atoms = 4 × (4/3)πR³ = (16/3)πR³ Step 3: 4R = a√2 → a = 2√2 R → a³ = (2√2)³ R³ = 16√2 R³ Step 4: APF = (16/3)πR³ / (16√2 R³) = (16π/3) / (16√2) = π / (3√2) = 3.14159 / 4.24264 = 0.7405 = 74.05% ✔

15. Practice Multiple Choice Questions

Q1. In the FCC crystal structure, atoms touch along which crystallographic direction?
  • (a) Cube edge ⟨100⟩
  • (b) Body diagonal ⟨111⟩
  • (c) Face diagonal ⟨110⟩ ✔ — giving 4R = a√2
  • (d) They do not touch in any direction
Q2. The exact expression for the APF of FCC is:
  • (a) π/6 (= 52.36% — Simple Cubic)
  • (b) π√3/8 (= 68.02% — BCC)
  • (c) π/(3√2) = 0.7405 ✔ — the theoretical maximum for equal spheres
  • (d) π/4 (= 78.54%)
Q3. Carbon dissolves 100× more in FCC gamma-iron (2.14 wt%) than in BCC alpha-iron (0.022 wt%). The primary reason is:
  • (a) FCC iron is at higher temperature, so carbon is more mobile
  • (b) FCC octahedral voids have r/R = 0.414, much larger than BCC octahedral voids (r/R = 0.154) ✔
  • (c) FCC iron has a larger lattice parameter than BCC iron
  • (d) Carbon forms covalent bonds with FCC iron atoms
Q4. How many octahedral interstitial sites does one FCC unit cell contain?
  • (a) 2
  • (b) 4 ✔ — 1 body-centre + 12 edge-midpoints × (1/4) = 1 + 3 = 4
  • (c) 6
  • (d) 8
Q5. The ABCABC stacking sequence of {111} planes in FCC gives rise to which property?
  • (a) Body-diagonal touching direction
  • (b) Only 3 independent slip systems
  • (c) 4 independent {111} slip planes, giving 12 total slip systems and exceptional ductility ✔
  • (d) A ductile-to-brittle transition temperature similar to BCC
Q6. The Cantor alloy CrMnFeCoNi adopts a single-phase FCC structure despite containing 5 elements. At cryogenic temperatures compared to conventional BCC steels, this FCC HEA is:
  • (a) More brittle, because FCC has higher packing
  • (b) About the same toughness as steel
  • (c) Significantly tougher — FCC metals lack a DBTT and maintain ductility at liquid nitrogen temperatures ✔
  • (d) Only ductile if the composition is adjusted to pure iron

16. Key Takeaways

Complete Summary — Face-Centred Cubic (FCC) Crystal Structure
  1. FCC DEFINITION: Cubic unit cell with atoms at all 8 corners and the centre of each of the 6 faces. Belongs to the cubic crystal system (a = b = c, α = β = γ = 90°).
  2. ATOMS/CELL: N = 8×(1/8) + 6×(1/2) = 4 atoms per unit cell — the highest of any simple cubic-type structure.
  3. TOUCHING DIRECTION: Face diagonal ⟨110⟩. Along this diagonal: corner (R) + face-centre (2R) + corner (R) = 4R = a√2.
  4. a vs R: a = 2√2 R = 2.828 R  |  R = a√2/4 = 0.3536 a.
  5. COORDINATION NUMBER: CN = 12 — the theoretical maximum for equal spheres. 4 neighbours in the same {111} plane, 4 above, 4 below.
  6. APF: 74.05% = π/(3√2) — the theoretical maximum packing efficiency (Kepler conjecture). Void fraction = 25.95%.
  7. STACKING: ABCABC... sequence of {111} close-packed planes. This 3-layer periodicity defines the FCC structure and distinguishes it from HCP (ABABAB).
  8. SLIP SYSTEMS: 12 slip systems — {111}⟨110⟩ (4 planes × 3 directions). This explains the exceptional ductility of FCC metals and absence of DBTT.
  9. INTERSTITIAL VOIDS: 4 octahedral voids (r/R = 0.414) and 8 tetrahedral voids (r/R = 0.225) per unit cell. Large octahedral voids accommodate carbon in austenite (2.14 wt%).
  10. DENSITY: ρ = (4 × A) / (a³ × N_A). With n = 4 always for FCC.
  11. COMMON METALS: Cu, Al, Au, Ag, Ni, Pb, Pt, Pd — plus gamma-iron between 912–1394°C. All highly ductile, electrically conductive, formable.
  12. 2025 FRONTIER: FCC high-entropy alloys (Cantor alloy) offer exceptional cryogenic toughness. FCC gold nanoparticles enable biomedical imaging and cancer therapy.

Series Navigation

Lecture 02 Lattice and Basis
FCC — Current Face-Centred Cubic (FCC)

References

All references are in IEEE citation style. All sources are peer-reviewed journals, internationally recognised textbooks, or authoritative academic databases.

  1. W. D. Callister Jr. and D. G. Rethwisch, Materials Science and Engineering: An Introduction, 10th ed. Hoboken, NJ, USA: John Wiley & Sons, 2018, ch. 3, pp. 40–78. [Wiley] — Primary textbook reference for FCC unit cell geometry, atom counting, APF derivation, slip systems, and interstitial void analysis.
  2. C. Kittel, Introduction to Solid State Physics, 8th ed. Hoboken, NJ, USA: John Wiley & Sons, 2005, ch. 1, pp. 1–26. [Wiley] — Reference for FCC Bravais lattice, primitive vectors, ABCABC stacking, and first Brillouin zone of the FCC lattice.
  3. N. W. Ashcroft and N. D. Mermin, Solid State Physics. Philadelphia, PA, USA: Holt, Rinehart and Winston, 1976, ch. 4–5. — Graduate reference for FCC crystal structure, close-packed planes, and electronic properties arising from FCC symmetry.
  4. A. Kelly and K. M. Knowles, Crystallography and Crystal Defects, 2nd ed. Chichester, UK: John Wiley & Sons, 2012. [Wiley] — Reference for FCC slip systems, interstitial void geometry, and dislocation behaviour in FCC metals.
  5. T. H. Hales et al., "A formal proof of the Kepler conjecture," Forum Math. Pi, vol. 5, Art. no. e2, 2017, doi: 10.1017/fmp.2017.1. [Cambridge University Press — Open Access DOI] — Formal mathematical proof that 74.05% is the maximum packing efficiency for equal spheres — confirming FCC (and HCP) achieve the theoretical maximum.
  6. B. Gludovatz et al., "A fracture-resistant high-entropy alloy for cryogenic applications," Science, vol. 345, no. 6201, pp. 1153–1158, Sep. 2014, doi: 10.1126/science.1254581. [Science — DOI: 10.1126/science.1254581] — Landmark paper demonstrating exceptional cryogenic fracture toughness of the single-phase FCC Cantor alloy CrMnFeCoNi.
  7. A. Jain et al., "Commentary: The Materials Project: A materials genome approach to accelerating materials innovation," APL Mater., vol. 1, no. 1, Art. no. 011002, 2013, doi: 10.1063/1.4812323. [Materials Project — Open Crystal Database] — Source for all FCC metal lattice parameters, densities, and crystal structure data in Table 1 of this lecture.
  8. University of Cambridge, DoITPoMS, "Iron-Carbon Phase Diagram," Teaching and Learning Packages. Cambridge, UK: University of Cambridge, 2023. [doitpoms.ac.uk] — Reference for carbon solubility in FCC austenite (2.14 wt%) vs BCC ferrite (0.022 wt%) and the role of FCC structure in steel metallurgy.
  9. R. Verma and S. K. Rout, "Frequency-dependent ferro–antiferro phase transition and internal bias field influenced piezoelectric response of donor and acceptor doped bismuth sodium titanate ceramics," J. Appl. Phys., vol. 126, no. 9, Art. no. 094103, Sep. 2019, doi: 10.1063/1.5111505. [AIP — DOI: 10.1063/1.5111505] — Author's peer-reviewed research on crystal structure and phase analysis in perovskite materials, relevant to the discussion of iron's FCC↔BCC allotropic transformation and its functional implications.
  10. R. Verma and S. K. Rout, "The Mystery of Dimensional Effects in Ferroelectricity," in Recent Advances in Multifunctional Perovskite Materials. London, UK: IntechOpen, 2022, doi: 10.5772/intechopen.104435. [IntechOpen — Open Access] — Author's chapter on structural transitions in perovskite materials, relevant to the FCC structure of high-temperature phases in functional oxides.

1️⃣ FCC Unit Cell & Atomic Radius Numericals

Problem 1 (GATE Level)

Aluminum crystallizes in an FCC structure. The atomic radius is 143 pm. Find the lattice parameter.

Solution

For FCC:

a = 2√2 R

Substitute

a = 2√2 × 143  
a = 2 × 1.414 × 143  
a = 404.4 pm

Final Answer

a ≈ 4.04 Å

Problem 2 (NET Level)

An FCC crystal has lattice parameter a = 4.0 Å. Find the atomic radius.

Solution

a = 2√2 R  
R = a / (2√2)
R = 4 / (2 × 1.414)
R = 1.414 Å

Final Answer

R = 1.41 Å

2️⃣ Number of Atoms in FCC Numericals

Problem 3

Calculate the number of atoms present in one FCC unit cell.

Solution

Corner atoms

8 × 1/8 = 1

Face atoms

6 × 1/2 = 3

Total atoms

Z = 1 + 3 = 4

Final Answer

Z = 4

Problem 4 (Conceptual Numerical)

How many atoms are present in 10 FCC unit cells?

Solution

Z = 4
10 × 4 = 40

Final Answer

40 atoms

3️⃣ Density Numericals (Very Common in GATE)

Problem 5

Copper crystallizes in an FCC structure.

Atomic weight M = 63.5 g/mol

Lattice parameter a = 3.61 Å

Find the density.

Formula

ρ = ZM / (Nₐ a³)

Where Z = 4

Convert lattice parameter

a = 3.61 × 10⁻⁸ cm

Substitute

ρ = (4 × 63.5) /
[6.022 × 10²³ × (3.61 × 10⁻⁸)³]

Final Answer

ρ ≈ 8.96 g/cm³

Problem 6

An FCC metal has lattice parameter a = 4.05 Å

Atomic weight M = 108 g/mol

Find the density.

Solution

ρ = ZM / (Nₐ a³)
Z = 4
a = 4.05 × 10⁻⁸ cm
ρ = (4 × 108) /
[6.022 × 10²³ × (4.05 × 10⁻⁸)³]

Final Answer

ρ ≈ 10.5 g/cm³

4️⃣ Coordination Number Numericals

Problem 7

Determine the coordination number of FCC.

Solution

Each atom is surrounded by:

  • 4 atoms in the same plane
  • 4 atoms above
  • 4 atoms below
4 + 4 + 4 = 12

Final Answer

12

5️⃣ Atomic Packing Factor Problems

Problem 8

Calculate the packing efficiency of FCC structure.

Solution

Volume of atoms

4 × (4/3)πR³

Unit cell volume

For FCC

a = 2√2 R

Substitute

APF = π / (3√2)

Final Answer

APF = 0.74

Packing efficiency

74%

6️⃣ Void Numericals (Common in NET)

Problem 9

Find the number of tetrahedral voids in FCC.

Solution

Tetrahedral voids = 2Z
Z = 4
2 × 4 = 8

Final Answer

8

Problem 10

Find the number of octahedral voids in FCC.

Solution

Octahedral voids = Z
Z = 4

Final Answer

4

7️⃣ Higher-Level Numerical (NET Type)

Problem 11

Calculate the edge length of an FCC unit cell if atomic radius R = 1.28 Å.

Solution

a = 2√2 R
a = 2 × 1.414 × 1.28
a = 3.62 Å

8️⃣ Reverse Density Problem (GATE Style)

Problem 12

An FCC crystal has density 8 g/cm³.

Atomic weight 64 g/mol.

Find the lattice parameter.

Solution

ρ = ZM / (Nₐ a³)

Solve for a

a = (ZM / ρNₐ)^(1/3)

9️⃣ Conceptual Numerical

Problem 13

What is the packing efficiency difference between FCC and BCC?

Solution

FCC = 74%
BCC = 68%
Difference = 6%

🔟 Crystal Plane Numerical

Problem 14

Determine the number of atoms touching one atom in FCC.

Answer

12

Frequently Asked Questions (FAQs)

  1. Why do many metals prefer the FCC crystal structure?

    Many metals adopt the Face-Centered Cubic (FCC) structure because it provides high packing efficiency and energetic stability. The FCC lattice allows atoms to arrange themselves in a closely packed configuration, minimizing the total energy of the system. In addition, the FCC structure contains multiple slip systems that enable metals to deform easily without fracturing.

  2. Why does the FCC structure have the highest ductility among cubic crystal systems?

    The FCC structure possesses 12 independent slip systems, which allow atoms to move along several crystallographic planes and directions when stress is applied. Because deformation can occur along multiple paths, FCC metals such as copper and aluminium can undergo significant plastic deformation before failure. This is why FCC metals are generally more ductile than BCC or HCP metals.

  3. How does the FCC crystal structure influence diffusion in metals?

    In FCC crystals, diffusion often occurs through vacancies and interstitial sites within the lattice. The presence of relatively large octahedral interstitial sites allows smaller atoms to migrate through the structure more easily. Diffusion behavior is important in processes such as alloy formation, heat treatment, and phase transformations.

  4. Why is the atomic packing factor of FCC equal to 0.74?

    The Atomic Packing Factor (APF) of the FCC structure is 0.74 because atoms are arranged in a close-packed configuration where spheres occupy the maximum possible space without overlapping. In this arrangement, atoms touch along the face diagonal of the cube, resulting in highly efficient packing where about 74% of the unit cell volume is filled with atoms.

  5. How does the FCC structure influence electrical conductivity in metals?

    In FCC metals such as copper and silver, the ordered atomic arrangement allows electrons to move relatively freely through the lattice. Metallic bonding and the regular structure facilitate efficient electron transport, which is why FCC metals are widely used in electrical conductors and electronic devices.

  6. Why are FCC nanoparticles important in nanotechnology?

    Many metallic nanoparticles including gold, silver, platinum, and palladium adopt the FCC structure. At the nanoscale, crystallographic surfaces such as the (111) and (100) planes strongly influence surface energy, catalytic activity, and chemical reactions, making FCC nanoparticles important in catalysis, sensing technologies, and biomedical applications.

  7. How do crystal defects affect FCC materials?

    Although the FCC structure is highly ordered, real materials contain defects such as vacancies, dislocations, and grain boundaries. These defects influence mechanical properties by controlling dislocation motion, plastic deformation, and the strength and stability of the material.

  8. Why are FCC metals widely used in engineering applications?

    FCC metals combine several desirable properties such as high ductility, good electrical conductivity, corrosion resistance, and excellent formability. Because of these advantages, they are widely used in aerospace components, electrical wiring, electronic devices, nanomaterials, and advanced structural materials.

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