Crystal Lab › Prototype structures › Orthorhombic
K₂AgSbS₄
Orthorhombic · space group Pnn2 (No. 34) · Pearson oP32
Symmetry elements and Wyckoff positions (interactive)
K₂AgSbS₄ in Pnn2
SettingUnit cell
- Lattice constants
- a = 10.348 Å, b = 10.522 Å, c = 7.946 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 865.2 ų
- Atoms in the conventional cell
- 32 (Ag 4, K 8, S 16, Sb 4)
- Formula units Z
- 4
- Pearson symbol
- oP32 — orthorhombic, primitive lattice, 32 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ag1 | Ag | 2a | 2 | 0.0000 | 0.0000 | 0.9519 |
| K3 | K | 2a | 2 | 0.0000 | 0.0000 | 0.4480 |
| Ag2 | Ag | 2b | 2 | 0.0000 | 0.5000 | 0.2249 |
| K4 | K | 2b | 2 | 0.0000 | 0.5000 | 0.7580 |
| K5 | K | 4c | 4 | 0.2468 | 0.2349 | 0.9480 |
| S6 | S | 4c | 4 | 0.5500 | 0.7051 | 0.2672 |
| S7 | S | 4c | 4 | 0.7104 | 0.5518 | 0.6322 |
| S8 | S | 4c | 4 | 0.9238 | 0.7208 | 0.3037 |
| S9 | S | 4c | 4 | 0.7201 | 0.9228 | 0.5872 |
| Sb10 | Sb | 4c | 4 | 0.7272 | 0.7254 | 0.4485 |
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 32 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
AB2C4D_oP32_34_ab_abc_4c_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP32, then the space-group number 34, then the Wyckoff letters occupied by each element in turn (Ag: 2a; K: 2a; Ag: 2b; K: 2b; K: 4c; S: 4c; S: 4c; S: 4c; S: 4c; Sb: 4c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB2C4D_oP32_34_ab_abc_4c_c-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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