Crystal Lab › Prototype structures › Monoclinic
Y₅S₇
Monoclinic · space group C12/m1 (No. 12) · Pearson mC24
Symmetry elements and Wyckoff positions (interactive)
Y₅S₇ in C12/m1
SettingUnit cell
- Lattice constants
- a = 12.768 Å, b = 3.803 Å, c = 19.275 Å; α = 90.00°, β = 144.59°, γ = 90.00°
- Cell volume
- 542.3 ų
- Atoms in the conventional cell
- 24 (S 14, Y 10)
- Formula units Z
- 2
- Pearson symbol
- mC24 — monoclinic, base-centred lattice, 24 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| S1 | S | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Y5 | Y | 2c | 2 | 0.0000 | 0.0000 | 0.5000 |
| S2 | S | 4i | 4 | 0.2897 | 0.0000 | 0.4490 |
| S3 | S | 4i | 4 | 0.8247 | 0.0000 | 0.2846 |
| S4 | S | 4i | 4 | 0.9066 | 0.0000 | 0.1476 |
| Y6 | Y | 4i | 4 | 0.5076 | 0.0000 | 0.3097 |
| Y7 | Y | 4i | 4 | 0.4647 | 0.0000 | 0.0774 |
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 24 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
A7B5_mC24_12_a3i_c2i-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC24, then the space-group number 12, then the Wyckoff letters occupied by each element in turn (S: 2a; Y: 2c; S: 4i; S: 4i; S: 4i; Y: 4i; Y: 4i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Dy₅S₇, Er₅S₇, Ho₅S₇, Tm₅S₇, CdY₄S₇, CrY₄S₇, MnDy₄S₇, MnEr₄S₇, MnHo₄S₇, MnTm₄S₇, MnY₄S₇, MnYb₄S₇, FeEr₄S₇, FeHo₄S₇, FeTm₄S₇, FeY₄S₇, FeYb₄S₇ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A7B5_mC24_12_a3i_c2i-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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