Crystal Lab › Prototype structures › Hexagonal
Nb₇Rh₆B₈
Hexagonal · space group P63/m (No. 176) · Pearson hP126
Symmetry elements and Wyckoff positions (interactive)
Nb₇Rh₆B₈ in P63/m
SettingUnit cell
- Lattice constants
- a = 16.131 Å, b = 16.131 Å, c = 6.569 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 1480.2 ų
- Atoms in the conventional cell
- 126 (Nb 42, B 48, Rh 36)
- Formula units Z
- 6
- Pearson symbol
- hP126 — hexagonal / trigonal, primitive lattice, 126 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Nb6 | Nb | 2a | 2 | 0.0000 | 0.0000 | 0.2500 |
| Nb7 | Nb | 2c | 2 | 0.3333 | 0.6667 | 0.2500 |
| Nb8 | Nb | 2d | 2 | 0.6667 | 0.3333 | 0.2500 |
| B1 | B | 6h | 6 | 0.3320 | 0.9980 | 0.2500 |
| B2 | B | 6h | 6 | 0.3130 | 0.3300 | 0.2500 |
| Nb10 | Nb | 6h | 6 | 0.5525 | 0.8184 | 0.2500 |
| Nb11 | Nb | 6h | 6 | 0.2117 | 0.1529 | 0.2500 |
| Nb12 | Nb | 6h | 6 | 0.4506 | 0.1831 | 0.2500 |
| Nb13 | Nb | 6h | 6 | 0.6025 | 0.1234 | 0.2500 |
| Nb14 | Nb | 6h | 6 | 0.3993 | 0.8784 | 0.2500 |
| Nb9 | Nb | 6h | 6 | 0.0737 | 0.2184 | 0.2500 |
| B3 | B | 12i | 12 | 0.5453 | 0.3063 | 0.4940 |
| B4 | B | 12i | 12 | 0.5663 | 0.2033 | 0.5120 |
| B5 | B | 12i | 12 | 0.0984 | 0.1274 | 0.4960 |
| Rh15 | Rh | 12i | 12 | 0.4435 | 0.0417 | 0.5263 |
| Rh16 | Rh | 12i | 12 | 0.2927 | 0.0692 | 0.4914 |
| Rh17 | Rh | 12i | 12 | 0.3751 | 0.2646 | 0.4682 |
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 126 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
A8B7C6_hP126_176_2h3i_acd6h_3i-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP126, then the space-group number 176, then the Wyckoff letters occupied by each element in turn (Nb: 2a; Nb: 2c; Nb: 2d; B: 6h; B: 6h; Nb: 6h; Nb: 6h; Nb: 6h; Nb: 6h; Nb: 6h; Nb: 6h; B: 12i; B: 12i; B: 12i; Rh: 12i; Rh: 12i; Rh: 12i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Ta₇Rh₆B₈ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A8B7C6_hP126_176_2h3i_acd6h_3i-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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