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Crystal Lab › Prototype structures › Monoclinic

α-Pu

Monoclinic · space group P121/m1 (No. 11) · Pearson mP16

Symmetry elements and Wyckoff positions (interactive)

α-Pu in P121/m1

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

Unit cell

Lattice constants
a = 6.183 Å, b = 4.822 Å, c = 10.963 Å; α = 90.00°, β = 101.79°, γ = 90.00°
Cell volume
320.0 ų
Atoms in the conventional cell
16 (Pu 16)
Formula units Z
16
Pearson symbol
mP16 — monoclinic, primitive lattice, 16 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Pu1Pu2e20.65500.25000.8380
Pu2Pu2e20.23300.25000.8320
Pu3Pu2e20.87200.25000.6600
Pu4Pu2e20.34300.25000.5430
Pu5Pu2e20.97500.25000.3820
Pu6Pu2e20.52700.25000.3470
Pu7Pu2e20.67200.25000.0740
Pu8Pu2e20.13100.25000.1060

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 16 atoms drawn above are these sites multiplied by all 4 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_mP16_11_8e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP16, then the space-group number 11, then the Wyckoff letters occupied by each element in turn (Pu: 2e; Pu: 2e; Pu: 2e; Pu: 2e; Pu: 2e; Pu: 2e; Pu: 2e; Pu: 2e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: α-Pu.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A_mP16_11_8e-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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