Crystal Lab › Prototype structures › Monoclinic
GdCBr
Monoclinic · space group C12/m1 (No. 12) · Pearson mC12
Symmetry elements and Wyckoff positions (interactive)
GdCBr in C12/m1
SettingUnit cell
- Lattice constants
- a = 7.022 Å, b = 3.836 Å, c = 12.550 Å; α = 90.00°, β = 128.38°, γ = 90.00°
- Cell volume
- 265.0 ų
- Atoms in the conventional cell
- 12 (Br 4, C 4, Gd 4)
- Formula units Z
- 4
- Pearson symbol
- mC12 — monoclinic, base-centred lattice, 12 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Br1 | Br | 4i | 4 | 0.8347 | 0.0000 | 0.6597 |
| C2 | C | 4i | 4 | 0.4610 | 0.0000 | 0.0340 |
| Gd3 | Gd | 4i | 4 | 0.2937 | 0.0000 | 0.1501 |
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 12 atoms drawn above are these sites multiplied by all 8 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
ABC_mC12_12_i_i_i-003: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC12, then the space-group number 12, then the Wyckoff letters occupied by each element in turn (Br: 4i; C: 4i; Gd: 4i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
TbCBr, ThCN, YCBr, YCCl, YCI <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry ABC_mC12_12_i_i_i-003 (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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