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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Cu1Cu2a20.75000.25000.0000
Ga2Ga2c20.25000.25000.3144
O3O2c20.25000.25000.4270
S5S2c20.25000.25000.0940
Sr6Sr2c20.25000.25000.8158
Sr7Sr2c20.25000.25000.5860
O4O4f40.75000.25000.7101

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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