Gaudefroyite Ca₈Mn₆[(BO₃)₆(CO₃)₂O₆]

Unit cell

Lattice constants

a = 10.608 Å, b = 10.608 Å, c = 5.886 Å; α = 90.00°, β = 90.00°, γ = 120.00°

Cell volume

573.6 ų

Atoms in the conventional cell

60 (Ca 8, C 4, Mn 6, B 6, O 36)

Formula units Z

2

Pearson symbol

hP60 — hexagonal / trigonal, primitive lattice, 60 atoms per conventional cell

Symmetry operations

12 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 60 atoms drawn above are these sites multiplied by all 12 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

A3B2C4D3E18_hP60_176_h_e_ch_g_2h2i-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP60, then the space-group number 176, then the Wyckoff letters occupied by each element in turn (Ca: 2c; C: 4e; Mn: 6g; B: 6h; Ca: 6h; O: 6h; O: 6h; O: 12i; O: 12i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Ca₃B₄Al₃GdO₁₅, Ca₃B₄Al₃YO₁₅, Ca₃B₄Cr₃YO₁₅, Ca₃B₄Ga₃TbO₁₅, Ca₃B₄Ga₃YO₁₅, Ca₃B₄Gd₃YO₁₅, Ca₃B₄Mn₃YO₁₅ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B2C4D3E18_hP60_176_h_e_ch_g_2h2i-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.