Symmetry elements and Wyckoff positions (interactive)
CsHgN₃O₆ in Pm-3
SettingUnit cell
- Lattice constants
- a = 5.475 Å, b = 5.475 Å, c = 5.475 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 164.1 ų
- Atoms in the conventional cell
- 11 (Cs 1, Hg 1, N 3, O 6)
- Formula units Z
- 1
- Pearson symbol
- cP11 — cubic, primitive lattice, 11 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cs1 | Cs | 1a | 1 | 0.0000 | 0.0000 | 0.0000 |
| Hg2 | Hg | 1b | 1 | 0.5000 | 0.5000 | 0.5000 |
| N3 | N | 3c | 3 | 0.0000 | 0.5000 | 0.5000 |
| O4 | O | 6f | 6 | 0.2400 | 0.0000 | 0.5000 |
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 11 atoms drawn above are these sites multiplied by all 24 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
ABC3D6_cP11_200_a_b_c_f-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cP11, then the space-group number 200, then the Wyckoff letters occupied by each element in turn (Cs: 1a; Hg: 1b; N: 3c; O: 6f). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
CsCdN₃O₆, KHgN₃O₆, RbCdN₃O₆, RbHgN₃O₆, TlCdN₃O₆, TlHgN₃O₆ <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry ABC3D6_cP11_200_a_b_c_f-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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