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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Cl2Cl16c160.00000.00000.0000
Mg3Mg16d160.50000.50000.5000
C1C32e320.71500.71500.7150
Na4Na48f480.35000.12500.1250
O5O96g960.75000.75000.6500

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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