Heusler (Cu₂AlMn, L2₁)

Unit cell

Lattice constants

a = 5.950 Å, b = 5.950 Å, c = 5.950 Å; α = 90.00°, β = 90.00°, γ = 90.00°

Cell volume

210.6 ų

Atoms in the conventional cell

16 (Al 4, Mn 4, Cu 8)

Formula units Z

4

Pearson symbol

cF16 — cubic, face-centred lattice, 16 atoms per conventional cell

Symmetry operations

192 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 16 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

AB2C_cF16_225_a_c_b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cF16, then the space-group number 225, then the Wyckoff letters occupied by each element in turn (Al: 4a; Mn: 4b; Cu: 8c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Ac₂HgSn, Ag₂AlMn, Ag₂AlSc, Ag₂CdMg, Ag₂CeAl, Ag₂CeIn, Ag₂DyIn, Ag₂ErIn, Ag₂GdIn, Ag₂HoIn, Ag₂InLa, Ag₂InMg, Ag₂InNd, Ag₂InPr, Ag₂InSc, Ag₂InSm, Ag₂InTb, Ag₂InTm, Ag₂InY, Ag₂LiGe, Ag₂LiIn, Ag₂LiSn, Ag₂MgTm, Ag₂MgZn, Al₂IrLi, Al₂LiPd, Al₂LiPt, Al₂LiRh, Al₂MnNi, Al₂MnOs, Al₂NiPt, Au₂AgMn, Au₂AlHf, Au₂AlMn, Au₂AlSc, Au₂AlTi, Au₂CeIn, Au₂CuMn, Au₂DyIn, Au₂ErIn, Au₂GdIn, Au₂HfIn, Au₂HoIn, Au₂InLu, Au₂InNd, Au₂InPr, Au₂InSc, Au₂InSm, Au₂InTb, Au₂InTh, Au₂InTi, Au₂InTm, Au₂InU, Au₂InY, Au₂InYb, Au₂InZr, Au₂SnU, Ba₂AsAu, Ba₂AuBi, Ba₂AuSb, Ba₂HgPb, Ba₂HgSn, Ba₂MgTl, C₂CrK, C₂KTi, C₂KV, Ca₂AsAu, Ca₂AuBi,

Note: L2₁, Heusler.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB2C_cF16_225_a_c_b-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.