Crystal Lab › Prototype structures › Monoclinic
Ho₂S₃
Monoclinic · space group P121/m1 (No. 11) · Pearson mP30
Symmetry elements and Wyckoff positions (interactive)
Ho₂S₃ in P121/m1
SettingUnit cell
- Lattice constants
- a = 10.150 Å, b = 4.002 Å, c = 17.500 Å; α = 90.00°, β = 80.60°, γ = 90.00°
- Cell volume
- 701.3 ų
- Atoms in the conventional cell
- 30 (Ho 12, S 18)
- Formula units Z
- 6
- Pearson symbol
- mP30 — monoclinic, primitive lattice, 30 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ho1 | Ho | 2e | 2 | 0.8106 | 0.2500 | 0.0208 |
| Ho2 | Ho | 2e | 2 | 0.8758 | 0.2500 | 0.4300 |
| Ho3 | Ho | 2e | 2 | 0.1708 | 0.2500 | 0.7806 |
| Ho4 | Ho | 2e | 2 | 0.8128 | 0.2500 | 0.7203 |
| Ho5 | Ho | 2e | 2 | 0.5133 | 0.2500 | 0.3981 |
| Ho6 | Ho | 2e | 2 | 0.4506 | 0.2500 | 0.1156 |
| S10 | S | 2e | 2 | 0.3628 | 0.2500 | 0.2808 |
| S11 | S | 2e | 2 | 0.9919 | 0.2500 | 0.2689 |
| S12 | S | 2e | 2 | 0.2892 | 0.2500 | 0.6306 |
| S13 | S | 2e | 2 | 0.0494 | 0.2500 | 0.9239 |
| S14 | S | 2e | 2 | 0.6808 | 0.2500 | 0.1825 |
| S15 | S | 2e | 2 | 0.6322 | 0.2500 | 0.5319 |
| S7 | S | 2e | 2 | 0.9469 | 0.2500 | 0.5756 |
| S8 | S | 2e | 2 | 0.7317 | 0.2500 | 0.8731 |
| S9 | S | 2e | 2 | 0.3833 | 0.2500 | 0.9672 |
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 30 atoms drawn above are these sites multiplied by all 4 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
A2B3_mP30_11_6e_9e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP30, then the space-group number 11, then the Wyckoff letters occupied by each element in turn (Ho: 2e; Ho: 2e; Ho: 2e; Ho: 2e; Ho: 2e; Ho: 2e; S: 2e; S: 2e; S: 2e; S: 2e; S: 2e; S: 2e; S: 2e; S: 2e; S: 2e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Dy₂S₃, Er₂S₃, Tm₂S₃, Y₂S₃, δ-Yb₂S₃ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B3_mP30_11_6e_9e-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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