Crystal Lab › Prototype structures › Tetragonal
Rb₃Mn₂Cl₇
Tetragonal · space group I4/mmm (No. 139) · Pearson tI24
Symmetry elements and Wyckoff positions (interactive)
Rb₃Mn₂Cl₇ in I4/mmm
SettingUnit cell
- Lattice constants
- a = 5.089 Å, b = 5.089 Å, c = 26.146 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 677.1 ų
- Atoms in the conventional cell
- 24 (Cl 14, Rb 6, Mn 4)
- Formula units Z
- 2
- Pearson symbol
- tI24 — tetragonal, body-centred lattice, 24 atoms per conventional cell
- Symmetry operations
- 32 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cl1 | Cl | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Rb5 | Rb | 2b | 2 | 0.0000 | 0.0000 | 0.5000 |
| Cl2 | Cl | 4e | 4 | 0.0000 | 0.0000 | 0.7950 |
| Mn4 | Mn | 4e | 4 | 0.0000 | 0.0000 | 0.9000 |
| Rb6 | Rb | 4e | 4 | 0.0000 | 0.0000 | 0.6800 |
| Cl3 | Cl | 8g | 8 | 0.0000 | 0.5000 | 0.6000 |
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 24 atoms drawn above are these sites multiplied by all 32 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
A7B2C3_tI24_139_aeg_e_be-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI24, then the space-group number 139, then the Wyckoff letters occupied by each element in turn (Cl: 2a; Rb: 2b; Cl: 4e; Mn: 4e; Rb: 4e; Cl: 8g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Cs₃Ca₂Cl₇, Cs₃Mg₂Cl₇, K₃Mn₂Cl₇, Rb₃Mn₂Br₇ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A7B2C3_tI24_139_aeg_e_be-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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