Crystal Lab › Prototype structures › Trigonal
K₂RbSc(PO₄)₂
Trigonal · space group P-3m1 (No. 164) · Pearson hP14
Symmetry elements and Wyckoff positions (interactive)
K₂RbSc(PO₄)₂ in P-3m1
SettingUnit cell
- Lattice constants
- a = 5.466 Å, b = 5.466 Å, c = 7.703 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 199.3 ų
- Atoms in the conventional cell
- 14 (Rb 1, Sc 1, K 2, O 8, P 2)
- Formula units Z
- 1
- Pearson symbol
- hP14 — hexagonal / trigonal, primitive lattice, 14 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Rb1 | Rb | 1a | 1 | 0.0000 | 0.0000 | 0.0000 |
| Sc2 | Sc | 1b | 1 | 0.0000 | 0.0000 | 0.5000 |
| K3 | K | 2d | 2 | 0.3333 | 0.6667 | 0.2843 |
| O4 | O | 2d | 2 | 0.3333 | 0.6667 | 0.5850 |
| P5 | P | 2d | 2 | 0.3333 | 0.6667 | 0.7770 |
| O6 | O | 6i | 6 | 0.1810 | 0.3620 | 0.8414 |
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 14 atoms drawn above are these sites multiplied by all 12 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
A2B8C2DE_hP14_164_d_di_d_a_b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP14, then the space-group number 164, then the Wyckoff letters occupied by each element in turn (Rb: 1a; Sc: 1b; K: 2d; O: 2d; P: 2d; O: 6i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
K₂CsYb(PO₄)₂, Rb₃Er(PO₄)₂, Rb₃Lu(PO₄)₂, Rb₃Yb(PO₄)₂ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B8C2DE_hP14_164_d_di_d_a_b-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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