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Crystal Lab › Prototype structures › Tetragonal

BaNiSn₃

Tetragonal · space group I4mm (No. 107) · Pearson tI10

Symmetry elements and Wyckoff positions (interactive)

BaNiSn₃ in I4mm

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

Unit cell

Lattice constants
a = 4.820 Å, b = 4.820 Å, c = 10.930 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
253.9 ų
Atoms in the conventional cell
10 (Ba 2, Ni 2, Sn 6)
Formula units Z
2
Pearson symbol
tI10 — tetragonal, body-centred lattice, 10 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Ba1Ba2a20.00000.00000.0000
Ni2Ni2a20.00000.00000.6554
Sn3Sn2a20.00000.00000.4241
Sn4Sn4b40.00000.50000.2516

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 10 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

ABC3_tI10_107_a_a_ab-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol tI10, then the space-group number 107, then the Wyckoff letters occupied by each element in turn (Ba: 2a; Ni: 2a; Sn: 2a; Sn: 4b). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

BaPdSn₃, BaPtSn₃, CeCuAl₃, EuPdGe₃, EuRhGe₃, LaOsSb₃, SrIrAl₃, SrNiSn₃, SrPdAl₃, SrPtAl₃ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry ABC3_tI10_107_a_a_ab-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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