Crystal Lab › Prototype structures › Trigonal
RbNO₃ (IV)
Trigonal · space group P31 (No. 144) · Pearson hP45
Symmetry elements and Wyckoff positions (interactive)
RbNO₃ (IV) in P31
SettingUnit cell
- Lattice constants
- a = 10.550 Å, b = 10.550 Å, c = 7.470 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 720.0 ų
- Atoms in the conventional cell
- 45 (N 9, O 27, Rb 9)
- Formula units Z
- 9
- Pearson symbol
- hP45 — hexagonal / trigonal, primitive lattice, 45 atoms per conventional cell
- Symmetry operations
- 3 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| N1 | N | 3a | 3 | 0.4388 | 0.5668 | 0.1053 |
| N2 | N | 3a | 3 | 0.0962 | 0.2042 | 0.5318 |
| N3 | N | 3a | 3 | 0.7420 | 0.2057 | 0.1168 |
| O10 | O | 3a | 3 | 0.6922 | 0.1208 | 0.2503 |
| O11 | O | 3a | 3 | 0.8721 | 0.2774 | 0.0897 |
| O12 | O | 3a | 3 | 0.6541 | 0.2174 | 0.0140 |
| O4 | O | 3a | 3 | 0.3371 | 0.5582 | 0.0094 |
| O5 | O | 3a | 3 | 0.3964 | 0.4704 | 0.2280 |
| O6 | O | 3a | 3 | 0.5646 | 0.6512 | 0.0664 |
| O7 | O | 3a | 3 | 0.9989 | 0.1089 | 0.6245 |
| O8 | O | 3a | 3 | 0.2309 | 0.2495 | 0.5637 |
| O9 | O | 3a | 3 | 0.0581 | 0.2465 | 0.3949 |
| Rb13 | Rb | 3a | 3 | 0.4566 | 0.5691 | 0.6236 |
| Rb14 | Rb | 3a | 3 | 0.1184 | 0.2192 | 0.0000 |
| Rb15 | Rb | 3a | 3 | 0.7772 | 0.2214 | 0.6381 |
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 45 atoms drawn above are these sites multiplied by all 3 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
AB3C_hP45_144_3a_9a_3a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP45, then the space-group number 144, then the Wyckoff letters occupied by each element in turn (N: 3a; N: 3a; N: 3a; O: 3a; O: 3a; O: 3a; O: 3a; O: 3a; O: 3a; O: 3a; O: 3a; O: 3a; Rb: 3a; Rb: 3a; Rb: 3a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
CsNO₃ (II), TlNO₃ (III) <!--beginning with an
Note: RbNO₃ (IV).
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB3C_hP45_144_3a_9a_3a-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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