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β-KYb₂F₇ F₇KYb₂
Monoclinic · space group P121 (No. 3) · Pearson mP10
Symmetry elements and Wyckoff positions (interactive)
β-KYb₂F₇ in P121
SettingUnit cell
- Lattice constants
- a = 6.528 Å, b = 4.217 Å, c = 10.990 Å; α = 90.00°, β = 148.23°, γ = 90.00°
- Cell volume
- 159.3 ų
- Atoms in the conventional cell
- 10 (F 7, K 1, Yb 2)
- Formula units Z
- 1
- Pearson symbol
- mP10 — monoclinic, primitive lattice, 10 atoms per conventional cell
- Symmetry operations
- 2 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| F1 | F | 1a | 1 | 0.0000 | 0.8928 | 0.0000 |
| K2 | K | 1b | 1 | 0.0000 | 0.5000 | 0.5000 |
| F3 | F | 2e | 2 | 0.3720 | 0.0000 | 0.8290 |
| F4 | F | 2e | 2 | 0.6220 | 0.0000 | 0.4546 |
| F5 | F | 2e | 2 | 0.0044 | 0.5000 | 0.7932 |
| Yb6 | Yb | 2e | 2 | 0.0010 | 0.0000 | 0.8088 |
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 10 atoms drawn above are these sites multiplied by all 2 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
A7BC2_mP10_3_a3e_b_e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP10, then the space-group number 3, then the Wyckoff letters occupied by each element in turn (F: 1a; K: 1b; F: 2e; F: 2e; F: 2e; Yb: 2e). 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 A7BC2_mP10_3_a3e_b_e-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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