Crystal Lab › Prototype structures › Orthorhombic
Cs₄Mg₃F₁₀
Orthorhombic · space group Cmce (No. 64) · Pearson oC68
Symmetry elements and Wyckoff positions (interactive)
Cs₄Mg₃F₁₀ in Cmce
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Mg7 | Mg | 4a | 4 | 0.0000 | 0.0000 | 0.0000 |
| F3 | F | 8e | 8 | 0.2500 | 0.1098 | 0.2500 |
| Cs1 | Cs | 8f | 8 | 0.0000 | 0.2542 | 0.3939 |
| Cs2 | Cs | 8f | 8 | 0.0000 | 0.4482 | 0.1389 |
| F4 | F | 8f | 8 | 0.0000 | 0.4732 | 0.3575 |
| F5 | F | 8f | 8 | 0.0000 | 0.2465 | 0.1482 |
| Mg8 | Mg | 8f | 8 | 0.0000 | 0.1170 | 0.1575 |
| F6 | F | 16g | 16 | 0.7100 | 0.5958 | 0.0403 |
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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