Cs₄Mo₅P₂O₂₂: A4B5C22D2_oC132_20_abc_a2c_2a10c_c-001 Cs₄Mo₅O₂₂P₂

Unit cell

Lattice constants

a = 20.485 Å, b = 6.622 Å, c = 17.748 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

2407.5 ų

Atoms in the conventional cell

132 (Cs 16, Mo 20, O 88, P 8)

Formula units Z

4

Pearson symbol

oC132 — orthorhombic, base-centred lattice, 132 atoms per conventional cell

Symmetry operations

8 per cell

Crystallographic sites

The multiplicity and the Wyckoff letter say how many copies of the site the group makes in one cell and on which kind of symmetry element the site sits; the 132 atoms drawn above are these sites multiplied by all 8 operations. Press Wyckoff under Colour to see the sites, and tick a symmetry element on the left to see which atoms lie on it.

How to read the label

A4B5C22D2_oC132_20_abc_a2c_2a10c_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oC132, then the space-group number 20, then the Wyckoff letters occupied by each element in turn (Cs: 4a; Mo: 4a; O: 4a; O: 4a; Cs: 4b; Cs: 8c; Mo: 8c; Mo: 8c; O: 8c; O: 8c; O: 8c; O: 8c; O: 8c; O: 8c; O: 8c; O: 8c; O: 8c; O: 8c; P: 8c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4B5C22D2_oC132_20_abc_a2c_2a10c_c-001 (M. J. Mehl et al., Comput. Mater. Sci. 136, S1 (2017); D. Hicks et al., ibid. 161, S1 (2019) and 199, 110450 (2021); S. Eckert et al., ibid. 240, 112988 (2024)). Symmetry elements, Wyckoff assignment and the diagram are computed on this page from the group operations.