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G7₃ [Na₃MgCl(CO₃)₂] Structure ( Obsolete ): A2BCD3E6_cF208_227_e_c_d_f_g-001
Cubic · space group Fd-3m (No. 227) · Pearson cF208 · Strukturbericht G73 · mineral: northupite
Symmetry elements and Wyckoff positions (interactive)
G7₃ [Na₃MgCl(CO₃)₂] Structure ( Obsolete ): A2BCD3E6_cF208_227_e_c_d_f_g-001 in Fd-3m
SettingUnit cell
- Lattice constants
- a = 14.050 Å, b = 14.050 Å, c = 14.050 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 2773.5 ų
- Atoms in the conventional cell
- 208 (Cl 16, Mg 16, C 32, Na 48, O 96)
- Formula units Z
- 16
- Pearson symbol
- cF208 — cubic, face-centred lattice, 208 atoms per conventional cell
- Symmetry operations
- 192 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cl2 | Cl | 16c | 16 | 0.0000 | 0.0000 | 0.0000 |
| Mg3 | Mg | 16d | 16 | 0.5000 | 0.5000 | 0.5000 |
| C1 | C | 32e | 32 | 0.7150 | 0.7150 | 0.7150 |
| Na4 | Na | 48f | 48 | 0.3500 | 0.1250 | 0.1250 |
| O5 | O | 96g | 96 | 0.7500 | 0.7500 | 0.6500 |
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 208 atoms drawn above are these sites multiplied by all 192 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
A2BCD3E6_cF208_227_e_c_d_f_g-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cF208, then the space-group number 227, then the Wyckoff letters occupied by each element in turn (Cl: 16c; Mg: 16d; C: 32e; Na: 48f; O: 96g). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: G7₃, Northupite (Obsolete).
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2BCD3E6_cF208_227_e_c_d_f_g-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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