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Triclinic BiMn₇O₁₂

Triclinic · space group P1 (No. 1) · Pearson aP20

Symmetry elements and Wyckoff positions (interactive)

Triclinic BiMn₇O₁₂ in P1

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

Unit cell

Lattice constants
a = 6.410 Å, b = 6.438 Å, c = 6.504 Å; α = 108.86°, β = 108.60°, γ = 110.37°
Cell volume
208.1 ų
Atoms in the conventional cell
20 (Bi 1, Mn 7, O 12)
Formula units Z
1
Pearson symbol
aP20 — triclinic, primitive lattice, 20 atoms per conventional cell
Symmetry operations
1 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Bi1Bi1a10.00000.00000.0000
Mn2Mn1a10.51710.95950.5196
Mn3Mn1a10.50290.46000.0185
Mn4Mn1a10.00220.45130.5063
Mn5Mn1a10.52100.45660.5220
Mn6Mn1a10.00450.95760.5052
Mn7Mn1a10.01360.48680.0247
Mn8Mn1a10.49260.94810.0069
O9O1a10.83000.25200.1359
O10O1a10.16100.62900.8551
O11O1a10.17800.26300.5028
O12O1a10.82200.64100.4928
O13O1a10.86400.10600.6840
O14O1a10.54000.77700.7100
O15O1a10.16660.80300.3696
O16O1a10.53120.14700.3486
O17O1a10.30300.43400.1851
O18O1a10.66500.82050.1613
O19O1a10.69250.47200.8658
O20O1a10.31750.07400.8428

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 20 atoms drawn above are these sites multiplied by all 1 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

AB7C12_aP20_1_a_7a_12a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol aP20, then the space-group number 1, then the Wyckoff letters occupied by each element in turn (Bi: 1a; Mn: 1a; Mn: 1a; Mn: 1a; Mn: 1a; Mn: 1a; Mn: 1a; Mn: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a; O: 1a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB7C12_aP20_1_a_7a_12a-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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