Crystal Lab › Prototype structures › Cubic
Sodium Chlorate (NaClO₃, G0₃)
Cubic · space group P213 (No. 198) · Pearson cP20 · Strukturbericht G03 · mineral: sodium chlorate
Symmetry elements and Wyckoff positions (interactive)
Sodium Chlorate (NaClO₃, G0₃) in P213
SettingUnit cell
- Lattice constants
- a = 6.570 Å, b = 6.570 Å, c = 6.570 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 283.6 ų
- Atoms in the conventional cell
- 20 (Cl 4, Na 4, O 12)
- Formula units Z
- 4
- Pearson symbol
- cP20 — cubic, primitive lattice, 20 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cl1 | Cl | 4a | 4 | 0.4170 | 0.4170 | 0.4170 |
| Na2 | Na | 4a | 4 | 0.0640 | 0.0640 | 0.0640 |
| O3 | O | 12b | 12 | 0.3030 | 0.5920 | 0.5000 |
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 20 atoms drawn above are these sites multiplied by all 12 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
ABC3_cP20_198_a_a_b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cP20, then the space-group number 198, then the Wyckoff letters occupied by each element in turn (Cl: 4a; Na: 4a; O: 12b). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
NaBrO₃ <!--beginning with an
Note: Sodium Chlorate.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry ABC3_cP20_198_a_a_b-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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