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Crystal Lab › Prototype structures › Orthorhombic

Cs₄Mg₃F₁₀

Orthorhombic · space group Cmce (No. 64) · Pearson oC68

Symmetry elements and Wyckoff positions (interactive)

Cs₄Mg₃F₁₀ in Cmce

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit cell

Lattice constants
a = 6.133 Å, b = 14.561 Å, c = 13.653 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
1219.3 ų
Atoms in the conventional cell
68 (Mg 12, F 40, Cs 16)
Formula units Z
4
Pearson symbol
oC68 — orthorhombic, base-centred lattice, 68 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Mg7Mg4a40.00000.00000.0000
F3F8e80.25000.10980.2500
Cs1Cs8f80.00000.25420.3939
Cs2Cs8f80.00000.44820.1389
F4F8f80.00000.47320.3575
F5F8f80.00000.24650.1482
Mg8Mg8f80.00000.11700.1575
F6F16g160.71000.59580.0403

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 68 atoms drawn above are these sites multiplied by all 16 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

A4B10C3_oC68_64_2f_e2fg_af-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oC68, then the space-group number 64, then the Wyckoff letters occupied by each element in turn (Mg: 4a; F: 8e; Cs: 8f; Cs: 8f; F: 8f; F: 8f; Mg: 8f; F: 16g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Ba₄Ir₃F₁₀, Ba₄Mn₃O₁₀, Ba₄Ru₃O₁₀, Ba₄Sn₃O₁₀, Cs₄Fe₃F₁₀, Cs₄Ni₃F₁₀, Cs₄Zn₃F₁₀, Rb₄Mg₃H₁₀, Sr₄Mn₃O₁₀, Ba₄Ti₂PtO₁₀ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4B10C3_oC68_64_2f_e2fg_af-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.

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