Crystal Lab › Prototype structures › Monoclinic
Sr₂NiTeO₆
Monoclinic · space group C12/m1 (No. 12) · Pearson mC40
Symmetry elements and Wyckoff positions (interactive)
Sr₂NiTeO₆ in C12/m1
SettingUnit cell
- Lattice constants
- a = 7.917 Å, b = 7.877 Å, c = 7.916 Å; α = 90.00°, β = 90.38°, γ = 90.00°
- Cell volume
- 493.6 ų
- Atoms in the conventional cell
- 40 (Ni 4, Te 4, O 24, Sr 8)
- Formula units Z
- 4
- Pearson symbol
- mC40 — monoclinic, base-centred lattice, 40 atoms per conventional cell
- Symmetry operations
- 8 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ni1 | Ni | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| Te10 | Te | 2b | 2 | 0.0000 | 0.5000 | 0.0000 |
| Te11 | Te | 2c | 2 | 0.0000 | 0.0000 | 0.5000 |
| Ni2 | Ni | 2d | 2 | 0.0000 | 0.5000 | 0.5000 |
| O3 | O | 4g | 4 | 0.0000 | 0.2600 | 0.0000 |
| O4 | O | 4h | 4 | 0.0000 | 0.7590 | 0.5000 |
| O5 | O | 4i | 4 | 0.7340 | 0.0000 | 0.9720 |
| O6 | O | 4i | 4 | 0.0310 | 0.0000 | 0.7450 |
| O7 | O | 4i | 4 | 0.7600 | 0.0000 | 0.5460 |
| O8 | O | 4i | 4 | 0.4650 | 0.0000 | 0.7530 |
| Sr9 | Sr | 8j | 8 | 0.2520 | 0.7510 | 0.7510 |
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 40 atoms drawn above are these sites multiplied by all 8 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
AB6C2D_mC40_12_ac_gh4i_j_bd-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC40, then the space-group number 12, then the Wyckoff letters occupied by each element in turn (Ni: 2a; Te: 2b; Te: 2c; Ni: 2d; O: 4g; O: 4h; O: 4i; O: 4i; O: 4i; O: 4i; Sr: 8j). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
Sr₂NiTeO₆, Cs₂RbDy₆ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB6C2D_mC40_12_ac_gh4i_j_bd-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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