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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

Setting
Loading the group…
x = 0.10, y = 0.17, z = 0.08

Unit 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

SiteElementWyckoffMultiplicityxyz
Mn1Mn2a20.00000.00000.0000
Mn2Mn2b20.00000.50000.0000
Mn3Mn2c20.00000.00000.5000
Pr10Pr2d20.00000.50000.5000
Mn4Mn4e40.25000.25000.0000
Mn5Mn4f40.25000.25000.5000
O6O4i40.32950.00000.0214
O7O4i40.67780.00000.3658
O8O8j80.00810.80990.6815
O9O8j80.68900.67470.1945

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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