Crystal Lab › Prototype structures › Orthorhombic
Nb₈P₅
Orthorhombic · space group Pbam (No. 55) · Pearson oP54
Symmetry elements and Wyckoff positions (interactive)
Nb₈P₅ in Pbam
SettingUnit cell
- Lattice constants
- a = 26.200 Å, b = 9.465 Å, c = 3.464 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 859.0 ų
- Atoms in the conventional cell
- 54 (Nb 34, P 20)
- Formula units Z
- 2
- Pearson symbol
- oP54 — orthorhombic, primitive lattice, 54 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Nb1 | Nb | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Nb2 | Nb | 4g | 4 | 0.2164 | 0.2505 | 0.0000 |
| Nb3 | Nb | 4g | 4 | 0.3259 | 0.4137 | 0.0000 |
| Nb4 | Nb | 4g | 4 | 0.0485 | 0.5036 | 0.0000 |
| P10 | P | 4g | 4 | 0.0655 | 0.2079 | 0.0000 |
| P11 | P | 4g | 4 | 0.3388 | 0.9920 | 0.0000 |
| P12 | P | 4g | 4 | 0.4272 | 0.3006 | 0.0000 |
| Nb5 | Nb | 4h | 4 | 0.4966 | 0.2444 | 0.5000 |
| Nb6 | Nb | 4h | 4 | 0.0841 | 0.0023 | 0.5000 |
| Nb7 | Nb | 4h | 4 | 0.1208 | 0.3327 | 0.5000 |
| Nb8 | Nb | 4h | 4 | 0.2652 | 0.0029 | 0.5000 |
| Nb9 | Nb | 4h | 4 | 0.3762 | 0.1675 | 0.5000 |
| P13 | P | 4h | 4 | 0.1706 | 0.1044 | 0.5000 |
| P14 | P | 4h | 4 | 0.2862 | 0.2590 | 0.5000 |
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 54 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
A17B10_oP54_55_a3g5h_3g2h-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP54, then the space-group number 55, then the Wyckoff letters occupied by each element in turn (Nb: 2a; Nb: 4g; Nb: 4g; Nb: 4g; P: 4g; P: 4g; P: 4g; Nb: 4h; Nb: 4h; Nb: 4h; Nb: 4h; Nb: 4h; P: 4h; P: 4h). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Zr₈As₅ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A17B10_oP54_55_a3g5h_3g2h-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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