Crystal Lab › Prototype structures › Monoclinic
Cr₂Te₄O₁₁
Monoclinic · space group P121/c1 (No. 14) · Pearson mP34
Symmetry elements and Wyckoff positions (interactive)
Cr₂Te₄O₁₁ in P121/c1
SettingUnit cell
- Lattice constants
- a = 7.016 Å, b = 7.545 Å, c = 9.728 Å; α = 90.00°, β = 99.69°, γ = 90.00°
- Cell volume
- 507.6 ų
- Atoms in the conventional cell
- 34 (O 22, Cr 4, Te 8)
- Formula units Z
- 2
- Pearson symbol
- mP34 — monoclinic, primitive lattice, 34 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| O2 | O | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Cr1 | Cr | 4e | 4 | 0.1808 | 0.5019 | 0.1158 |
| O3 | O | 4e | 4 | 0.3420 | 0.6490 | 0.0134 |
| O4 | O | 4e | 4 | 0.9370 | 0.6410 | 0.0483 |
| O5 | O | 4e | 4 | 0.0320 | 0.3750 | 0.2377 |
| O6 | O | 4e | 4 | 0.3730 | 0.3140 | 0.1571 |
| O7 | O | 4e | 4 | 0.2950 | 0.6240 | 0.2879 |
| Te8 | Te | 4e | 4 | 0.3603 | 0.8599 | 0.3238 |
| Te9 | Te | 4e | 4 | 0.8277 | 0.8618 | 0.0842 |
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 34 atoms drawn above are these sites multiplied by all 4 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
A2B11C4_mP34_14_e_a5e_2e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP34, then the space-group number 14, then the Wyckoff letters occupied by each element in turn (O: 2a; Cr: 4e; O: 4e; O: 4e; O: 4e; O: 4e; O: 4e; Te: 4e; Te: 4e). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B11C4_mP34_14_e_a5e_2e-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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