σ-CrFe (D8_{b})

Unit cell

Lattice constants

a = 8.797 Å, b = 8.797 Å, c = 4.558 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

352.7 ų

Atoms in the conventional cell

30 (Pd 2, Rh 4, Cr 8, Ni 8, Fe 8)

Formula units Z

2

Pearson symbol

tP30 — tetragonal, primitive lattice, 30 atoms per conventional cell

Symmetry operations

16 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 30 atoms drawn above are these sites multiplied by all 16 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

A4B4C4DE2_tP30_136_i_j_i_a_f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP30, then the space-group number 136, then the Wyckoff letters occupied by each element in turn (Pd: 2a; Rh: 4f; Cr: 8i; Ni: 8i; Fe: 8j). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Al₃CoNb₆, AlCrNb₃, AlNb₂, AuTa₂, Co₂Mo₃, CoV, Cr₂Os, Cr₂Rus, Cr₈Ni₅W, CrFe, CrMn₃, Fe₃Re₂, Fe₂₁Nb₁₉, FeMo, FeV, IrMo₂, IrW₃, IrZr₃, Mn₂Os, Mn₃Re₂, Mn₄₅Re₅₅, MnTc, Mo₄₅Ru₃, MoTc₃, Nb₂Os₃, Nb₂Rh, Nb₃Pd₂, Ni₂V₃, Ni₃₄Si₈V₅₈, PdTa₃, Re₃Ta₂ (HT), Re₃V, RhTa₂, Ta₃V₇, TaV, Tc₃W <!--beginning with an

Note: D8_{b}.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4B4C4DE2_tP30_136_i_j_i_a_f-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.