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Crystal Lab › Prototype structures › Monoclinic

α-monoclinic Selenium

Monoclinic · space group P121/c1 (No. 14) · Pearson mP32

Symmetry elements and Wyckoff positions (interactive)

α-monoclinic Selenium in P121/c1

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

Unit cell

Lattice constants
a = 11.601 Å, b = 9.083 Å, c = 14.816 Å; α = 90.00°, β = 142.34°, γ = 90.00°
Cell volume
953.9 ų
Atoms in the conventional cell
32 (Se 32)
Formula units Z
32
Pearson symbol
mP32 — monoclinic, primitive lattice, 32 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Se1Se4e40.55710.01600.3209
Se2Se4e40.78230.83750.4254
Se3Se4e40.85560.86240.3178
Se4Se4e40.68720.68140.1343
Se5Se4e40.43410.80960.9138
Se6Se4e40.17290.76780.8435
Se7Se4e40.14760.97830.9186
Se8Se4e40.26380.90100.1301

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 32 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_mP32_14_8e-002: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP32, then the space-group number 14, then the Wyckoff letters occupied by each element in turn (Se: 4e; Se: 4e; Se: 4e; Se: 4e; Se: 4e; Se: 4e; Se: 4e; Se: 4e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: α-monoclinic Selenium.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A_mP32_14_8e-002 (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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