Crystal Lab › Prototype structures › Orthorhombic
Nd₂Te₅
Orthorhombic · space group Cmcm (No. 63) · Pearson oC28
Symmetry elements and Wyckoff positions (interactive)
Nd₂Te₅ in Cmcm
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Nd1 | Nd | 4c | 4 | 0.0000 | 0.0990 | 0.2500 |
| Nd2 | Nd | 4c | 4 | 0.0000 | 0.3090 | 0.2500 |
| Te3 | Te | 4c | 4 | 0.0000 | 0.1740 | 0.2500 |
| Te4 | Te | 4c | 4 | 0.0000 | 0.3820 | 0.2500 |
| Te5 | Te | 4c | 4 | 0.0000 | 0.5400 | 0.2500 |
| Te6 | Te | 4c | 4 | 0.0000 | 0.7500 | 0.2500 |
| Te7 | Te | 4c | 4 | 0.0000 | 0.9600 | 0.2500 |
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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