Crystal Lab › Oxides & frameworks
Perovskite (ideal cubic) SrTiO₃
ABO₃ · space group Pm-3m (No. 221) · Z = 1
Unit cell
- Lattice constants
- a = 3.905 Å, b = 3.905 Å, c = 3.905 Å; α = 90°, β = 90°, γ = 90°
- Cell volume
- 59.5 ų
- Atoms in the cell
- 5 (Sr 1, Ti 1, O 3)
- Formula units Z
- 1
- Calculated density
- 5.12 g cm⁻³
- Shortest contact
- 1.952 Å
Coordination
- Sr
- CN 12 at 2.76 Å (12 O)
- Ti
- CN 6 at 1.95 Å (6 O)
- O
- CN 2 at 1.95 Å (2 Ti)
About the structure
- Corner-sharing TiO₆ octahedra with the large Sr²⁺ in the 12-coordinate cavity.
- Coordination: Sr 12, Ti 6, O 6 (2 Ti + 4 Sr).
- Sr²⁺ and O²⁻ together form a ccp array with Ti⁴⁺ in ¼ of the octahedral holes.
- CaTiO₃ (the mineral), BaTiO₃ (ferroelectric), LaMnO₃, and the cuprate superconductor family are perovskite-related.
Atom positions (fractional, one cell)
| Atom | x | y | z |
|---|---|---|---|
| Sr | 0.0000 | 0.0000 | 0.0000 |
| Ti | 0.5000 | 0.5000 | 0.5000 |
| O | 0.5000 | 0.5000 | 0.0000 |
| O | 0.5000 | 0.0000 | 0.5000 |
| O | 0.0000 | 0.5000 | 0.5000 |
Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.
Other oxides & frameworks
Rhenium trioxideReO₃ · AB₃SpinelMgAl₂O₄ · AB₂O₄CorundumAl₂O₃ · A₂B₃CupriteCu₂O · A₂BPyriteFeS₂ · AB₂ with S₂²⁻ pairsCalciteCaCO₃ · CarbonateMolybdeniteMoS₂ · Layered AB₂, 6:3ScheeliteCaWO₄ · ABO₄ tetrahedral oxo-anionMagnetite (inverse spinel)Fe₃O₄ · Inverse spinel AB₂O₄Ice Ih (oxygen framework)H₂O · Hydrogen-bonded network
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