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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Na1 | Na | 4c | 4 | 0.0000 | 0.0000 | 0.0000 |
| Sc5 | Sc | 4d | 4 | 0.0000 | 0.0000 | 0.5000 |
| O2 | O | 8g | 8 | 0.0558 | 0.2226 | 0.4018 |
| O3 | O | 8g | 8 | 0.2792 | 0.5820 | 0.4172 |
| O4 | O | 8g | 8 | 0.0895 | 0.0685 | 0.7219 |
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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