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Crystal Lab › Prototype structures › Tetragonal

NaSb(OH)₆ (J1₁₁)

Tetragonal · space group P42/n (No. 86) · Pearson tP32 · Strukturbericht J111

Symmetry elements and Wyckoff positions (interactive)

NaSb(OH)₆ (J1₁₁) in P42/n

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

Unit cell

Lattice constants
a = 8.029 Å, b = 8.029 Å, c = 7.894 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
508.9 ų
Atoms in the conventional cell
32 (Na 4, Sc 4, O 24)
Formula units Z
4
Pearson symbol
tP32 — tetragonal, primitive lattice, 32 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Na1Na4c40.00000.00000.0000
Sc5Sc4d40.00000.00000.5000
O2O8g80.05580.22260.4018
O3O8g80.27920.58200.4172
O4O8g80.08950.06850.7219

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 8 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

AB6C_tP32_86_c_3g_d-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP32, then the space-group number 86, then the Wyckoff letters occupied by each element in turn (Na: 4c; Sc: 4d; O: 8g; O: 8g; O: 8g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

AgSb(OH)₆ <!--beginning with an

Note: J1₁₁.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB6C_tP32_86_c_3g_d-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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