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Magnetite (inverse spinel) Fe₃O₄

Inverse spinel AB₂O₄ · space group Fd-3m (No. 227) · Z = 8

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Unit cell

Lattice constants
a = 8.396 Å, b = 8.396 Å, c = 8.396 Å; α = 90°, β = 90°, γ = 90°
Cell volume
591.9 ų
Atoms in the cell
56 (Fe 24, O 32)
Formula units Z
8
Calculated density
5.20 g cm⁻³
Shortest contact
1.876 Å

Coordination

Fe³⁺ (tet)
CN 4 at 1.88 Å (4 O)
Fe²⁺/Fe³⁺ (oct)
CN 6 at 2.07 Å (6 O)
O
CN 4 at 1.88 Å (4 Fe)

About the structure

  • The same framework as spinel, but with the cations swapped round: the tetrahedral (8a) sites hold Fe³⁺, and the octahedral (16d) sites hold Fe²⁺ and Fe³⁺ in equal numbers — an inverse spinel, written Fe³⁺[Fe²⁺Fe³⁺]O₄.
  • Coordination: Fe(tet) 4, Fe(oct) 6, O 4.
  • Fast electron hopping between Fe²⁺ and Fe³⁺ on the octahedral sites makes magnetite a conductor and a ferrimagnet (lodestone).
  • Mg₂TiO₄, NiFe₂O₄ and CoFe₂O₄ are also inverse; MgAl₂O₄ and ZnFe₂O₄ are normal.

Atom positions (fractional, one cell)

Atomxyz
Fe Fe³⁺ (tet)0.00000.00000.0000
Fe Fe³⁺ (tet)0.00000.50000.5000
Fe Fe³⁺ (tet)0.50000.00000.5000
Fe Fe³⁺ (tet)0.50000.50000.0000
Fe Fe³⁺ (tet)0.75000.25000.7500
Fe Fe³⁺ (tet)0.75000.75000.2500
Fe Fe³⁺ (tet)0.25000.25000.2500
Fe Fe³⁺ (tet)0.25000.75000.7500
Fe Fe²⁺/Fe³⁺ (oct)0.62500.62500.6250
Fe Fe²⁺/Fe³⁺ (oct)0.62500.12500.1250
Fe Fe²⁺/Fe³⁺ (oct)0.12500.62500.1250
Fe Fe²⁺/Fe³⁺ (oct)0.12500.12500.6250
Fe Fe²⁺/Fe³⁺ (oct)0.37500.87500.1250
Fe Fe²⁺/Fe³⁺ (oct)0.37500.37500.6250
Fe Fe²⁺/Fe³⁺ (oct)0.87500.87500.6250
Fe Fe²⁺/Fe³⁺ (oct)0.87500.37500.1250
Fe Fe²⁺/Fe³⁺ (oct)0.87500.12500.3750
Fe Fe²⁺/Fe³⁺ (oct)0.87500.62500.8750
Fe Fe²⁺/Fe³⁺ (oct)0.37500.12500.8750
Fe Fe²⁺/Fe³⁺ (oct)0.37500.62500.3750
Fe Fe²⁺/Fe³⁺ (oct)0.12500.37500.8750
Fe Fe²⁺/Fe³⁺ (oct)0.12500.87500.3750
Fe Fe²⁺/Fe³⁺ (oct)0.62500.37500.3750
Fe Fe²⁺/Fe³⁺ (oct)0.62500.87500.8750
O0.37900.37900.3790
O0.37900.87900.8790
O0.87900.37900.8790
O0.87900.87900.3790
O0.62100.12100.8790
O0.62100.62100.3790
O0.12100.12100.3790
O0.12100.62100.8790
O0.12100.87900.6210
O0.12100.37900.1210
O0.62100.87900.1210
O0.62100.37900.6210
O0.87900.62100.1210
O0.87900.12100.6210
O0.37900.62100.6210
O0.37900.12100.1210
O0.12900.62900.3710
O0.12900.12900.8710
O0.62900.62900.8710
O0.62900.12900.3710
O0.87100.87100.8710
O0.87100.37100.3710
O0.37100.87100.3710
O0.37100.37100.8710
O0.62900.37100.1290
O0.62900.87100.6290
O0.12900.37100.6290
O0.12900.87100.1290
O0.37100.12900.6290
O0.37100.62900.1290
O0.87100.12900.1290
O0.87100.62900.6290

Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.

Other oxides & frameworks

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