Crystal Lab › Prototype structures › Trigonal
SrMn₇O₁₂
Trigonal · space group R-3 (No. 148) · Pearson hR20
Symmetry elements and Wyckoff positions (interactive)
SrMn₇O₁₂ in R-3
SettingUnit cell
- Lattice constants
- a = 10.500 Å, b = 10.500 Å, c = 6.381 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 609.2 ų
- Atoms in the conventional cell
- 60 (Mn 21, Sr 3, O 36)
- Formula units Z
- 3
- Pearson symbol
- hR20 — hexagonal / trigonal, rhombohedral lattice, 20 atoms per conventional cell
- Symmetry operations
- 18 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Mn1 | Mn | 3a | 3 | 0.0000 | 0.0000 | 0.0000 |
| Sr6 | Sr | 3b | 3 | 0.0000 | 0.0000 | 0.5000 |
| Mn2 | Mn | 9d | 9 | 0.5000 | 0.0000 | 0.5000 |
| Mn3 | Mn | 9e | 9 | 0.5000 | 0.0000 | 0.0000 |
| O4 | O | 18f | 18 | 0.0333 | 0.2753 | 0.5813 |
| O5 | O | 18f | 18 | 0.1786 | 0.5205 | 0.8425 |
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 60 atoms drawn above are these sites multiplied by all 18 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
A7B12C_hR20_148_ade_2f_b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hR20, then the space-group number 148, then the Wyckoff letters occupied by each element in turn (Mn: 3a; Sr: 3b; Mn: 9d; Mn: 9e; O: 18f; O: 18f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
CaMn₇O₁₂, CdMn₇O₁₂, PbMn₇O₁₂, PrMn₇O₁₂ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A7B12C_hR20_148_ade_2f_b-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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