Alluaudite [NaMnFe₂(PO₄)₃]

Unit cell

Lattice constants

a = 12.004 Å, b = 12.533 Å, c = 6.404 Å; α = 90.00°, β = 114.40°, γ = 90.00°

Cell volume

877.4 ų

Atoms in the conventional cell

76 (Na 4, Mn 4, P 12, Fe 8, O 48)

Formula units Z

4

Pearson symbol

mC76 — monoclinic, base-centred lattice, 76 atoms per conventional cell

Symmetry operations

8 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 76 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

A2BCD12E3_mC76_15_f_e_a_6f_ef-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC76, then the space-group number 15, then the Wyckoff letters occupied by each element in turn (Na: 4a; Mn: 4e; P: 4e; Fe: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; O: 8f; P: 8f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Ag_{x}Na_{1-x}Mn₃(PO₄)₃, Li_{x}Na_{1-x}CdIn₂(PO₄)₃, Li_{x}Na_{1-x}MnFe₂(PO₄)₃, Na₂(Fe, Co)Fe(VO₄)₃, Na₂Co₂Cr(PO₄)₃, Na₂Fe₂V(PO₄)₃, Na₂Zn₂Fe(VO₄)₃, Na₃Bi₂(AsO₄)₃, Na₄Co(MnO₄)₃, Na_{x}Mn_{y}Al_{5-x-y}(PO₄)₃ <!--beginning with an

Note: Alluaudite.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2BCD12E3_mC76_15_f_e_a_6f_ef-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.