Crystal Lab › Prototype structures › Orthorhombic
SrAl₂Se₄
Orthorhombic · space group Cccm (No. 66) · Pearson oC28
Symmetry elements and Wyckoff positions (interactive)
SrAl₂Se₄ in Cccm
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Sr4 | Sr | 4a | 4 | 0.0000 | 0.0000 | 0.2500 |
| Se2 | Se | 8k | 8 | 0.2500 | 0.2500 | 0.8330 |
| Al1 | Al | 8l | 8 | 0.5050 | 0.7680 | 0.0000 |
| Se3 | Se | 8l | 8 | 0.2370 | 0.9200 | 0.0000 |
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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