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T-50 B (A_{g})

Tetragonal · space group P42/nnm (No. 134) · Pearson tP50 · Strukturbericht Ag

Symmetry elements and Wyckoff positions (interactive)

T-50 B (A_{g}) in P42/nnm

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

Unit cell

Lattice constants
a = 8.740 Å, b = 8.740 Å, c = 5.030 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
384.2 ų
Atoms in the conventional cell
50 (B 50)
Formula units Z
50
Pearson symbol
tP50 — tetragonal, primitive lattice, 50 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
B1B2a20.25000.75000.2500
B2B8m80.50480.49520.1685
B3B8m80.63050.36950.6280
B4B16n160.66950.02280.1635
B5B16n160.57530.83830.1485

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 50 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

A_tP50_134_a2m2n-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tP50, then the space-group number 134, then the Wyckoff letters occupied by each element in turn (B: 2a; B: 8m; B: 8m; B: 16n; B: 16n). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: A_{g}.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A_tP50_134_a2m2n-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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