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Crystal Lab › Prototype structures › Hexagonal

SrMg₄

Hexagonal · space group P63/mmc (No. 194) · Pearson hP90

Symmetry elements and Wyckoff positions (interactive)

SrMg₄ in P63/mmc

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

Unit cell

Lattice constants
a = 10.511 Å, b = 10.511 Å, c = 28.362 Å; α = 90.00°, β = 90.00°, γ = 120.00°
Cell volume
2713.7 ų
Atoms in the conventional cell
90 (Mg 72, Sr 18)
Formula units Z
18
Pearson symbol
hP90 — hexagonal / trigonal, primitive lattice, 90 atoms per conventional cell
Symmetry operations
24 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Mg1Mg4e40.00000.00000.1580
Mg2Mg4f40.33330.66670.0373
Mg3Mg4f40.33330.66670.8573
Mg4Mg6g60.50000.00000.0000
Mg5Mg6h60.89890.79780.2500
Sr10Sr6h60.52200.04400.2500
Mg6Mg12k120.50000.00000.1177
Mg7Mg12k120.76790.53580.0546
Mg8Mg12k120.83230.66460.1540
Mg9Mg12k120.17720.35440.1897
Sr11Sr12k120.13690.27380.0625

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 90 atoms drawn above are these sites multiplied by all 24 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

A4B_hP90_194_e2fgh4k_hk-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP90, then the space-group number 194, then the Wyckoff letters occupied by each element in turn (Mg: 4e; Mg: 4f; Mg: 4f; Mg: 6g; Mg: 6h; Sr: 6h; Mg: 12k; Mg: 12k; Mg: 12k; Mg: 12k; Sr: 12k). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A4B_hP90_194_e2fgh4k_hk-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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