CaCu₃Mn₄O₁₂

Unit cell

Lattice constants

a = 7.241 Å, b = 7.241 Å, c = 7.241 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

379.7 ų

Atoms in the conventional cell

40 (Ca 2, Cu 6, Mn 8, O 24)

Formula units Z

2

Pearson symbol

cI40 — cubic, body-centred lattice, 40 atoms per conventional cell

Symmetry operations

48 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 40 atoms drawn above are these sites multiplied by all 48 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

AB3C4D12_cI40_204_a_b_c_g-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cI40, then the space-group number 204, then the Wyckoff letters occupied by each element in turn (Ca: 2a; Cu: 6b; Mn: 8c; O: 24g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

CaCo₃V₄O₁₂, CaCu₃Co₄O₁₂, CaCu₃Cr₄O₁₂, CaCu₃Fe₄O₁₂, CaCu₃Ge₄O₁₂, CaCu₃Ir₄O₁₂, CaCu₃Mn₄O₁₂, CaCu₃Pt₄O₁₂, CaCu₃Rh₄O₁₂, CaCu₃Ru₄O₁₂, CaCu₃Sn₄O₁₂, CaCu₃Ti₄O₁₂, CaCu₃V₄O₁₂, CaCu₃Zn₄O₁₂, CaFe₃Mn₄O₁₂, CaFe₃Ti₄O₁₂, CaMn₃V₄O₁₂, CaPd₃Ti₄O₁₂, CaPd₃V₄O₁₂, CdCu₃Fe₄O₁₂, CdCu₃Ti₄O₁₂, CeCu₃Co₄O₁₂, CeCu₃Cr₄O₁₂, CeCu₃Fe₄O₁₂, CeCu₃Mn₄O₁₂, CeMn₃Cr₄O₁₂, DyCu₃Fe₄O₁₂, DyCu₃Mn₄O₁₂, ErCu₃Fe₄O₁₂, EuCu₃Fe₄O₁₂, EuCu₃Mn₄O₁₂, GdCu₃Fe₄O₁₂, GdCu₃Mn₄O₁₂, GdMn₃V₄O₁₂, HoCu₃Fe₄O₁₂, HoCu₃Mn₄O₁₂, LaCu₃Cr₄O₁₂, LaCu₃Fe₄O₁₂, LaCu₃Ir₄O₁₂, LaCu₃Mn₄O₁₂, LaCu₃Ru₄O₁₂, LaMn₃Rh₄O₁₂, LaMn₃V₄O₁₂, LuCu₃Fe₄O₁₂, MnCu₃V₄O₁₂, NaCu₃Ir₄O₁₂, NaCu₃Ru₄O

Note: Double Perovskite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB3C4D12_cI40_204_a_b_c_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.