Crystal Lab › Prototype structures › Orthorhombic
RhCl₂(NH₃)₅Cl (J1₈)
Orthorhombic · space group Pnma (No. 62) · Pearson oP96 · Strukturbericht J18
Symmetry elements and Wyckoff positions (interactive)
RhCl₂(NH₃)₅Cl (J1₈) in Pnma
SettingUnit cell
- Lattice constants
- a = 13.360 Å, b = 10.460 Å, c = 6.741 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 942.0 ų
- Atoms in the conventional cell
- 96 (Cl 12, H 60, N 20, Rh 4)
- Formula units Z
- 4
- Pearson symbol
- oP96 — orthorhombic, primitive lattice, 96 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cl1 | Cl | 4c | 4 | 0.4705 | 0.2500 | 0.9518 |
| H3 | H | 4c | 4 | 0.7710 | 0.2500 | 0.9970 |
| H4 | H | 4c | 4 | 0.5270 | 0.2500 | 0.5270 |
| H5 | H | 4c | 4 | 0.7780 | 0.2500 | 0.3370 |
| N12 | N | 4c | 4 | 0.7207 | 0.2500 | 0.3777 |
| N13 | N | 4c | 4 | 0.7041 | 0.2500 | 0.9481 |
| N14 | N | 4c | 4 | 0.5046 | 0.2500 | 0.4129 |
| Rh16 | Rh | 4c | 4 | 0.6038 | 0.2500 | 0.1805 |
| Cl2 | Cl | 8d | 8 | 0.1484 | 0.9982 | 0.8394 |
| H6 | H | 8d | 8 | 0.3960 | 0.5090 | 0.9400 |
| H7 | H | 8d | 8 | 0.3570 | 0.5200 | 0.7390 |
| H8 | H | 8d | 8 | 0.4520 | 0.5280 | 0.7980 |
| H9 | H | 8d | 8 | 0.2970 | 0.6960 | 0.1250 |
| H10 | H | 8d | 8 | 0.5220 | 0.8070 | 0.5670 |
| H11 | H | 8d | 8 | 0.2740 | 0.8090 | 0.5410 |
| N15 | N | 8d | 8 | 0.3975 | 0.5534 | 0.8224 |
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 96 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
A3B15C5D_oP96_62_cd_3c6d_3cd_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP96, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (Cl: 4c; H: 4c; H: 4c; H: 4c; N: 4c; N: 4c; N: 4c; Rh: 4c; Cl: 8d; H: 8d; H: 8d; H: 8d; H: 8d; H: 8d; H: 8d; N: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
AlBr₂(NH₃)₅Br, AlCl₂(NH₃)₅Cl, CoBr₂(NH₃)₅Br, CoCl₂(NH₃)₅Cl, CoI₂(NH₃)₅Cl, CrCl₂(NH₃)₅Cl, GaCl₂(NH₃)₅Cl, IrCl₂(NH₃)₅Cl, OsCl₂(NH₃)₅Cl, RhBr₂(NH₃)₅Br, RhCl₂(NH₃)₅Cl, RhI₂(NH₃)₅Cl, RuCl₂(NH₃)₅Cl <!--beginning with an
Note: J1₈.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A3B15C5D_oP96_62_cd_3c6d_3cd_c-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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