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Crystal Lab › Prototype structures › Monoclinic

β-Pu

Monoclinic · space group C12/m1 (No. 12) · Pearson mC34

Symmetry elements and Wyckoff positions (interactive)

β-Pu in C12/m1

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

Unit cell

Lattice constants
a = 11.939 Å, b = 10.463 Å, c = 7.859 Å; α = 90.00°, β = 129.00°, γ = 90.00°
Cell volume
762.9 ų
Atoms in the conventional cell
34 (Pu 34)
Formula units Z
34
Pearson symbol
mC34 — monoclinic, base-centred lattice, 34 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Pu1Pu2a20.00000.00000.0000
Pu2Pu4h40.00000.28000.5000
Pu3Pu4i40.85400.00000.2410
Pu4Pu4i40.66300.00000.7450
Pu5Pu4i40.56600.00000.2380
Pu6Pu8j80.35500.23200.9630
Pu7Pu8j80.83300.85000.5860

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 34 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

A_mC34_12_ah3i2j-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC34, then the space-group number 12, then the Wyckoff letters occupied by each element in turn (Pu: 2a; Pu: 4h; Pu: 4i; Pu: 4i; Pu: 4i; Pu: 8j; Pu: 8j). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: \beta-Pu.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A_mC34_12_ah3i2j-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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