Boracite (Mg₃B₇ClO₁₃)

Unit cell

Lattice constants

a = 12.099 Å, b = 12.099 Å, c = 12.099 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

1770.9 ų

Atoms in the conventional cell

192 (Cl 8, O 104, B 56, Mg 24)

Formula units Z

8

Pearson symbol

cF192 — cubic, face-centred lattice, 192 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 192 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

A7BC3D13_cF192_219_ce_a_d_bh-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cF192, then the space-group number 219, then the Wyckoff letters occupied by each element in turn (Cl: 8a; O: 8b; B: 24c; Mg: 24d; B: 32e; O: 96h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Cr₃B₇BrO₁₃, Cr₃B₇ClO₁₃, Cr₃B₇IO₁₃, Fe₃B₇BrO₁₃, Fe₃B₇ClO₁₃, Fe₃B₇IO₁₃, Mg₃B₇BrO₁₃, Mg₃B₇ClO₁₃, Mg₃B₇IO₁₃, Mn₃B₇BrO₁₃, Mn₃B₇ClO₁₃, Mn₃B₇IO₁₃ <!--beginning with an

Note: Boracite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A7BC3D13_cF192_219_ce_a_d_bh-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.