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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Ni1Ni2a20.00000.00000.0000
Te10Te2b20.00000.50000.0000
Te11Te2c20.00000.00000.5000
Ni2Ni2d20.00000.50000.5000
O3O4g40.00000.26000.0000
O4O4h40.00000.75900.5000
O5O4i40.73400.00000.9720
O6O4i40.03100.00000.7450
O7O4i40.76000.00000.5460
O8O4i40.46500.00000.7530
Sr9Sr8j80.25200.75100.7510

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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