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Scheelite CaWO₄

ABO₄ tetrahedral oxo-anion · space group I4₁/a (No. 88) · Z = 4

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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)

Atomxyz
Ca0.00000.25000.6250
Ca0.50000.75000.1250
Ca0.00000.75000.3750
Ca0.50000.25000.8750
W0.00000.25000.1250
W0.50000.75000.6250
W0.00000.75000.8750
W0.50000.25000.3750
O0.15070.00860.2106
O0.65070.50860.7106
O0.34930.99140.7106
O0.84930.49140.2106
O0.74140.40070.4606
O0.24140.90070.9606
O0.75860.59930.9606
O0.25860.09930.4606
O0.84930.99140.7894
O0.34930.49140.2894
O0.65070.00860.2894
O0.15070.50860.7894
O0.25860.59930.5394
O0.75860.09930.0394
O0.24140.40070.0394
O0.74140.90070.5394

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

Other oxides & frameworks

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