H₃PW₁₂O₄₀cdot29H₂O (H4₂₁)

Unit cell

Lattice constants

a = 23.280 Å, b = 23.280 Å, c = 23.280 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

12616.8 ų

Atoms in the conventional cell

656 (H 232, P 8, O 320, W 96)

Formula units Z

8

Pearson symbol

cF656 — cubic, face-centred lattice, 656 atoms per conventional cell

Symmetry operations

192 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 656 atoms drawn above are these sites multiplied by all 192 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

A29B40CD12_cF656_227_ae2fg_e3g_b_g-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cF656, then the space-group number 227, then the Wyckoff letters occupied by each element in turn (H: 8a; P: 8b; H: 32e; O: 32e; H: 48f; H: 48f; H: 96g; O: 96g; O: 96g; O: 96g; W: 96g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

H₃PMo₁₂O₄₀cdot30H₂O <!--beginning with an

Note: H4₂₁, ``PWA-29''.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A29B40CD12_cF656_227_ae2fg_e3g_b_g-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.