Stepanovite (NaMgFe(C₂O₄)₃cdot9H₂O)

Unit cell

Lattice constants

a = 9.887 Å, b = 9.887 Å, c = 37.030 Å; α = 90.00°, β = 90.00°, γ = 120.00°

Cell volume

3134.8 ų

Atoms in the conventional cell

288 (Fe 6, Mg 6, Na 6, C 36, H 108, O 126)

Formula units Z

6

Pearson symbol

hR96 — hexagonal / trigonal, rhombohedral lattice, 96 atoms per conventional cell

Symmetry operations

18 per cell

Crystallographic sites

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 288 atoms drawn above are these sites multiplied by all 18 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

A6BC18DEF21_hR96_161_2b_a_6b_a_a_7b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hR96, then the space-group number 161, then the Wyckoff letters occupied by each element in turn (Fe: 6a; Mg: 6a; Na: 6a; C: 18b; C: 18b; H: 18b; H: 18b; H: 18b; H: 18b; H: 18b; H: 18b; O: 18b; O: 18b; O: 18b; O: 18b; O: 18b; O: 18b; O: 18b). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

NaMgAl(C₂O₄)₃cdot8H₂O (zhemchuzhnikovite) <!--beginning with an

Note: Stepanovite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A6BC18DEF21_hR96_161_2b_a_6b_a_a_7b-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.