Crystal Lab › Prototype structures › Monoclinic
PrMn₇O₁₂
Monoclinic · space group C12/m1 (No. 12) · Pearson mC40
Symmetry elements and Wyckoff positions (interactive)
PrMn₇O₁₂ in C12/m1
SettingUnit cell
- Lattice constants
- a = 10.485 Å, b = 7.385 Å, c = 7.474 Å; α = 90.00°, β = 134.50°, γ = 90.00°
- Cell volume
- 412.8 ų
- Atoms in the conventional cell
- 40 (Mn 14, Pr 2, O 24)
- Formula units Z
- 2
- Pearson symbol
- mC40 — monoclinic, base-centred lattice, 40 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Mn1 | Mn | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Mn2 | Mn | 2b | 2 | 0.0000 | 0.5000 | 0.0000 |
| Mn3 | Mn | 2c | 2 | 0.0000 | 0.0000 | 0.5000 |
| Pr10 | Pr | 2d | 2 | 0.0000 | 0.5000 | 0.5000 |
| Mn4 | Mn | 4e | 4 | 0.2500 | 0.2500 | 0.0000 |
| Mn5 | Mn | 4f | 4 | 0.2500 | 0.2500 | 0.5000 |
| O6 | O | 4i | 4 | 0.3295 | 0.0000 | 0.0214 |
| O7 | O | 4i | 4 | 0.6778 | 0.0000 | 0.3658 |
| O8 | O | 8j | 8 | 0.0081 | 0.8099 | 0.6815 |
| O9 | O | 8j | 8 | 0.6890 | 0.6747 | 0.1945 |
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 40 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
A7B12C_mC40_12_abcef_2i2j_d-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC40, then the space-group number 12, then the Wyckoff letters occupied by each element in turn (Mn: 2a; Mn: 2b; Mn: 2c; Pr: 2d; Mn: 4e; Mn: 4f; O: 4i; O: 4i; O: 8j; O: 8j). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
BiMn₇O₁₂, CeMn₇O₁₂, EuMn₇O₁₂, LaMn₇O₁₂, NaMn₇O₁₂, NdMn₇O₁₂, SmMn₇O₁₂, SmMn₇O₁₂, YMn₇O₁₂ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A7B12C_mC40_12_abcef_2i2j_d-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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