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Crystal Lab › Prototype structures › Orthorhombic

SrAl₂Se₄

Orthorhombic · space group Cccm (No. 66) · Pearson oC28

Symmetry elements and Wyckoff positions (interactive)

SrAl₂Se₄ in Cccm

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

Unit cell

Lattice constants
a = 6.270 Å, b = 10.820 Å, c = 10.850 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
736.1 ų
Atoms in the conventional cell
28 (Sr 4, Se 16, Al 8)
Formula units Z
4
Pearson symbol
oC28 — orthorhombic, base-centred lattice, 28 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Sr4Sr4a40.00000.00000.2500
Se2Se8k80.25000.25000.8330
Al1Al8l80.50500.76800.0000
Se3Se8l80.23700.92000.0000

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 28 atoms drawn above are these sites multiplied by all 16 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

A2B4C_oC28_66_l_kl_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oC28, then the space-group number 66, then the Wyckoff letters occupied by each element in turn (Sr: 4a; Se: 8k; Al: 8l; Se: 8l). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

CaAl₂Se₄ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B4C_oC28_66_l_kl_a-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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