Crystal Lab › Oxides & frameworks
Scheelite CaWO₄
ABO₄ tetrahedral oxo-anion · space group I4₁/a (No. 88) · Z = 4
Unit cell
- Lattice constants
- a = 5.243 Å, b = 5.243 Å, c = 11.376 Å; α = 90°, β = 90°, γ = 90°
- Cell volume
- 312.7 ų
- Atoms in the cell
- 24 (Ca 4, W 4, O 16)
- Formula units Z
- 4
- Calculated density
- 6.12 g cm⁻³
- Shortest contact
- 1.782 Å
Coordination
- Ca
- CN 8 at 2.44 Å (8 O)
- W
- CN 4 at 1.78 Å (4 O)
- O
- CN 1 at 1.78 Å (1 W)
About the structure
- Isolated WO₄²⁻ tetrahedra (W–O 1.78 Å) with Ca²⁺ eight-coordinate between them.
- Coordination: W 4, Ca 8 (two sets of four O at 2.44 and 2.48 Å).
- The structure type of CaMoO₄ (powellite), PbWO₄ and many laser-host tungstates; the W–O bond cutoff is used for the drawn bonds, Ca–O contacts are longer.
Atom positions (fractional, one cell)
| Atom | x | y | z |
|---|---|---|---|
| Ca | 0.0000 | 0.2500 | 0.6250 |
| Ca | 0.5000 | 0.7500 | 0.1250 |
| Ca | 0.0000 | 0.7500 | 0.3750 |
| Ca | 0.5000 | 0.2500 | 0.8750 |
| W | 0.0000 | 0.2500 | 0.1250 |
| W | 0.5000 | 0.7500 | 0.6250 |
| W | 0.0000 | 0.7500 | 0.8750 |
| W | 0.5000 | 0.2500 | 0.3750 |
| O | 0.1507 | 0.0086 | 0.2106 |
| O | 0.6507 | 0.5086 | 0.7106 |
| O | 0.3493 | 0.9914 | 0.7106 |
| O | 0.8493 | 0.4914 | 0.2106 |
| O | 0.7414 | 0.4007 | 0.4606 |
| O | 0.2414 | 0.9007 | 0.9606 |
| O | 0.7586 | 0.5993 | 0.9606 |
| O | 0.2586 | 0.0993 | 0.4606 |
| O | 0.8493 | 0.9914 | 0.7894 |
| O | 0.3493 | 0.4914 | 0.2894 |
| O | 0.6507 | 0.0086 | 0.2894 |
| O | 0.1507 | 0.5086 | 0.7894 |
| O | 0.2586 | 0.5993 | 0.5394 |
| O | 0.7586 | 0.0993 | 0.0394 |
| O | 0.2414 | 0.4007 | 0.0394 |
| O | 0.7414 | 0.9007 | 0.5394 |
Z, coordination numbers, distances, density and packing on this page are computed from these coordinates.
Other oxides & frameworks
Perovskite (ideal cubic)SrTiO₃ · ABO₃Rhenium trioxideReO₃ · AB₃SpinelMgAl₂O₄ · AB₂O₄CorundumAl₂O₃ · A₂B₃CupriteCu₂O · A₂BPyriteFeS₂ · AB₂ with S₂²⁻ pairsCalciteCaCO₃ · CarbonateMolybdeniteMoS₂ · Layered AB₂, 6:3Magnetite (inverse spinel)Fe₃O₄ · Inverse spinel AB₂O₄Ice Ih (oxygen framework)H₂O · Hydrogen-bonded network