Crystal Lab › Prototype structures › Orthorhombic
Empressite (AgTe)
Orthorhombic · space group Pnma (No. 62) · Pearson oP32 · mineral: empressite
Symmetry elements and Wyckoff positions (interactive)
Empressite (AgTe) in Pnma
SettingUnit cell
- Lattice constants
- a = 20.100 Å, b = 8.882 Å, c = 4.614 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 823.7 ų
- Atoms in the conventional cell
- 32 (Ag 16, Te 16)
- Formula units Z
- 16
- Pearson symbol
- oP32 — orthorhombic, primitive lattice, 32 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ag1 | Ag | 4c | 4 | 0.5513 | 0.2500 | 0.6669 |
| Ag2 | Ag | 4c | 4 | 0.3442 | 0.2500 | 0.7567 |
| Te4 | Te | 4c | 4 | 0.2368 | 0.2500 | 0.1490 |
| Te5 | Te | 4c | 4 | 0.4663 | 0.2500 | 0.1583 |
| Ag3 | Ag | 8d | 8 | 0.5656 | 0.4799 | 0.1499 |
| Te6 | Te | 8d | 8 | 0.6578 | 0.4772 | 0.5999 |
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 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
AB_oP32_62_2cd_2cd-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 62, then the Wyckoff letters occupied by each element in turn (Ag: 4c; Ag: 4c; Te: 4c; Te: 4c; Ag: 8d; Te: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: Empressite.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB_oP32_62_2cd_2cd-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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