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Crystal Lab › Prototype structures › Orthorhombic

K₂AgSbS₄

Orthorhombic · space group Pnn2 (No. 34) · Pearson oP32

Symmetry elements and Wyckoff positions (interactive)

K₂AgSbS₄ in Pnn2

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

Unit cell

Lattice constants
a = 10.348 Å, b = 10.522 Å, c = 7.946 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
865.2 ų
Atoms in the conventional cell
32 (Ag 4, K 8, S 16, Sb 4)
Formula units Z
4
Pearson symbol
oP32 — orthorhombic, primitive lattice, 32 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Ag1Ag2a20.00000.00000.9519
K3K2a20.00000.00000.4480
Ag2Ag2b20.00000.50000.2249
K4K2b20.00000.50000.7580
K5K4c40.24680.23490.9480
S6S4c40.55000.70510.2672
S7S4c40.71040.55180.6322
S8S4c40.92380.72080.3037
S9S4c40.72010.92280.5872
Sb10Sb4c40.72720.72540.4485

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

AB2C4D_oP32_34_ab_abc_4c_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP32, then the space-group number 34, then the Wyckoff letters occupied by each element in turn (Ag: 2a; K: 2a; Ag: 2b; K: 2b; K: 4c; S: 4c; S: 4c; S: 4c; S: 4c; Sb: 4c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB2C4D_oP32_34_ab_abc_4c_c-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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