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Crystal Lab › Prototype structures › Orthorhombic

Nd₂Te₅

Orthorhombic · space group Cmcm (No. 63) · Pearson oC28

Symmetry elements and Wyckoff positions (interactive)

Nd₂Te₅ in Cmcm

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

Unit cell

Lattice constants
a = 4.409 Å, b = 44.100 Å, c = 4.409 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
857.3 ų
Atoms in the conventional cell
28 (Nd 8, Te 20)
Formula units Z
4
Pearson symbol
oC28 — orthorhombic, base-centred lattice, 28 atoms per conventional cell
Symmetry operations
16 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Nd1Nd4c40.00000.09900.2500
Nd2Nd4c40.00000.30900.2500
Te3Te4c40.00000.17400.2500
Te4Te4c40.00000.38200.2500
Te5Te4c40.00000.54000.2500
Te6Te4c40.00000.75000.2500
Te7Te4c40.00000.96000.2500

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 28 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

A2B5_oC28_63_2c_5c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oC28, then the space-group number 63, then the Wyckoff letters occupied by each element in turn (Nd: 4c; Nd: 4c; Te: 4c; Te: 4c; Te: 4c; Te: 4c; Te: 4c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Ce₂Te₅, Dy₂Te₅, Gd₂Te₅, Ge₂Te₅, Ho₂Te₅, La₂Te₅, Nd₂Te₅, Pr₂Te₅, Sm₂Te₅ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B5_oC28_63_2c_5c-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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