Crystal Lab › Prototype structures › Trigonal
Li₂ZrTeO₆
Trigonal · space group R3 (No. 146) · Pearson hR10
Symmetry elements and Wyckoff positions (interactive)
Li₂ZrTeO₆ in R3
SettingUnit cell
- Lattice constants
- a = 5.172 Å, b = 5.172 Å, c = 13.847 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 320.8 ų
- Atoms in the conventional cell
- 30 (Li 6, Te 3, Zr 3, O 18)
- Formula units Z
- 3
- Pearson symbol
- hR10 — hexagonal / trigonal, rhombohedral lattice, 10 atoms per conventional cell
- Symmetry operations
- 9 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Li1 | Li | 3a | 3 | 0.0000 | 0.0000 | 0.2900 |
| Li2 | Li | 3a | 3 | 0.0000 | 0.0000 | 0.7600 |
| Te5 | Te | 3a | 3 | 0.0000 | 0.0000 | 0.5000 |
| Zr6 | Zr | 3a | 3 | 0.0000 | 0.0000 | 0.9930 |
| O3 | O | 9b | 9 | 0.3823 | 0.3607 | 0.7437 |
| O4 | O | 9b | 9 | 0.3187 | 0.0233 | 0.9093 |
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 30 atoms drawn above are these sites multiplied by all 9 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
A2B6CD_hR10_146_2a_2b_a_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hR10, then the space-group number 146, then the Wyckoff letters occupied by each element in turn (Li: 3a; Li: 3a; Te: 3a; Zr: 3a; O: 9b; O: 9b). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Li₂HfTeO₆ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B6CD_hR10_146_2a_2b_a_a-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.