MgB₁₂H₁₂[H₂O]₁₂ B₁₂H₃₆MgO₁₂

Unit cell

Lattice constants

a = 16.432 Å, b = 16.432 Å, c = 16.432 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

4436.9 ų

Atoms in the conventional cell

488 (Mg 8, O 96, B 96, H 288)

Formula units Z

8

Pearson symbol

cF488 — cubic, face-centred lattice, 488 atoms per conventional cell

Symmetry operations

96 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 488 atoms drawn above are these sites multiplied by all 96 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

A12B36CD12_cF488_210_h_3h_a_fg-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cF488, then the space-group number 210, then the Wyckoff letters occupied by each element in turn (Mg: 8a; O: 48f; O: 48g; B: 96h; H: 96h; H: 96h; H: 96h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

NiB₁₂H₁₂[H₂O]₁₂ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A12B36CD12_cF488_210_h_3h_a_fg-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.