Crystal Lab › Prototype structures › Tetragonal
Sr₂CuGaSO₃: ABC3DE2_tP16_129_a_c_cf_c_2c-001 CuGaO₃SSr₂
Tetragonal · space group P4/nmm (No. 129) · Pearson tP16
Symmetry elements and Wyckoff positions (interactive)
Sr₂CuGaSO₃: ABC3DE2_tP16_129_a_c_cf_c_2c-001 in P4/nmm
SettingUnit cell
- Lattice constants
- a = 3.861 Å, b = 3.861 Å, c = 15.730 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 234.4 ų
- Atoms in the conventional cell
- 16 (Cu 2, Ga 2, O 6, S 2, Sr 4)
- Formula units Z
- 2
- Pearson symbol
- tP16 — tetragonal, primitive lattice, 16 atoms per conventional cell
- Symmetry operations
- 16 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cu1 | Cu | 2a | 2 | 0.7500 | 0.2500 | 0.0000 |
| Ga2 | Ga | 2c | 2 | 0.2500 | 0.2500 | 0.3144 |
| O3 | O | 2c | 2 | 0.2500 | 0.2500 | 0.4270 |
| S5 | S | 2c | 2 | 0.2500 | 0.2500 | 0.0940 |
| Sr6 | Sr | 2c | 2 | 0.2500 | 0.2500 | 0.8158 |
| Sr7 | Sr | 2c | 2 | 0.2500 | 0.2500 | 0.5860 |
| O4 | O | 4f | 4 | 0.7500 | 0.2500 | 0.7101 |
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 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
ABC3DE2_tP16_129_a_c_cf_c_2c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP16, then the space-group number 129, then the Wyckoff letters occupied by each element in turn (Cu: 2a; Ga: 2c; O: 2c; S: 2c; Sr: 2c; Sr: 2c; O: 4f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Ba₂CuCoSO₃, Ba₂CuMnSO₃, Ba₂CuZnSO₃, Sr₂CuCoSO₃, Sr₂CuMnSO₃, Sr₂CuZnSO₃, Sr₂FeAsVO₃ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry ABC3DE2_tP16_129_a_c_cf_c_2c-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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