Crystal Lab › Prototype structures › Hexagonal
Stützite (Ag_{5-x}Te₃)
Hexagonal · space group P-6 (No. 174) · Pearson hP57 · mineral: st"{u}tzite
Symmetry elements and Wyckoff positions (interactive)
Stützite (Ag_{5-x}Te₃) in P-6
SettingUnit cell
- Lattice constants
- a = 13.454 Å, b = 13.454 Å, c = 8.459 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 1326.0 ų
- Atoms in the conventional cell
- 57 (Te 21, Ag 36)
- Formula units Z
- 3
- Pearson symbol
- hP57 — hexagonal / trigonal, primitive lattice, 57 atoms per conventional cell
- Symmetry operations
- 6 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Te9 | Te | 2g | 2 | 0.0000 | 0.0000 | 0.2765 |
| Te10 | Te | 2h | 2 | 0.3333 | 0.6667 | 0.2757 |
| Te11 | Te | 2i | 2 | 0.6667 | 0.3333 | 0.2925 |
| Ag1 | Ag | 3j | 3 | 0.2049 | 0.5281 | 0.0000 |
| Ag2 | Ag | 3j | 3 | 0.0108 | 0.1368 | 0.0000 |
| Te12 | Te | 3j | 3 | 0.9657 | 0.4550 | 0.0000 |
| Te13 | Te | 3j | 3 | 0.8429 | 0.2103 | 0.0000 |
| Te14 | Te | 3j | 3 | 0.2357 | 0.3320 | 0.0000 |
| Ag3 | Ag | 3k | 3 | 0.2409 | 0.7680 | 0.5000 |
| Ag4 | Ag | 3k | 3 | 0.0994 | 0.9021 | 0.5000 |
| Te15 | Te | 3k | 3 | 0.3509 | 0.0177 | 0.5000 |
| Te16 | Te | 3k | 3 | 0.0009 | 0.6661 | 0.5000 |
| Ag5 | Ag | 6l | 6 | 0.2260 | 0.8780 | 0.2410 |
| Ag6 | Ag | 6l | 6 | 0.8634 | 0.5306 | 0.2512 |
| Ag7 | Ag | 6l | 6 | 0.4790 | 0.9180 | 0.2830 |
| Ag8 | Ag | 6l | 6 | 0.2410 | 0.1420 | 0.2760 |
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 57 atoms drawn above are these sites multiplied by all 6 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
A12B7_hP57_174_2j2k4l_ghi3j2k-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP57, then the space-group number 174, then the Wyckoff letters occupied by each element in turn (Te: 2g; Te: 2h; Te: 2i; Ag: 3j; Ag: 3j; Te: 3j; Te: 3j; Te: 3j; Ag: 3k; Ag: 3k; Te: 3k; Te: 3k; Ag: 6l; Ag: 6l; Ag: 6l; Ag: 6l). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: St\"{u}tzite.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A12B7_hP57_174_2j2k4l_ghi3j2k-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.
← Fe₁₂Zr₂P₇ · Space group P-6 (5 prototypes) · All prototypes · ScRh₆P₄ →