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Crystal Lab › Prototype structures › Orthorhombic

Nb₆Sn₅

Orthorhombic · space group Immm (No. 71) · Pearson oI44

Symmetry elements and Wyckoff positions (interactive)

Nb₆Sn₅ in Immm

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

Unit cell

Lattice constants
a = 5.656 Å, b = 16.843 Å, c = 9.199 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
876.3 ų
Atoms in the conventional cell
44 (Nb 24, Sn 20)
Formula units Z
4
Pearson symbol
oI44 — orthorhombic, body-centred lattice, 44 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Nb1Nb4e40.23600.00000.0000
Sn5Sn4f40.24400.50000.0000
Nb2Nb4g40.00000.34690.0000
Sn6Sn4g40.00000.16820.0000
Sn7Sn4h40.00000.20610.5000
Nb3Nb8k80.25000.25000.2500
Nb4Nb8l80.00000.08530.2730
Sn8Sn8l80.00000.39570.3073

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 44 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

A6B5_oI44_71_egkl_fghl-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oI44, then the space-group number 71, then the Wyckoff letters occupied by each element in turn (Nb: 4e; Sn: 4f; Nb: 4g; Sn: 4g; Sn: 4h; Nb: 8k; Nb: 8l; Sn: 8l). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Ti₆Sn₅ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A6B5_oI44_71_egkl_fghl-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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