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H6₄ [Ni(NO₃)₂(NH₃)₆] Structure ( Obsolete ): A2B6CD6_cP60_205_c_d_a_d-001
Cubic · space group Pa-3 (No. 205) · Pearson cP60 · Strukturbericht H64
Symmetry elements and Wyckoff positions (interactive)
H6₄ [Ni(NO₃)₂(NH₃)₆] Structure ( Obsolete ): A2B6CD6_cP60_205_c_d_a_d-001 in Pa-3
SettingUnit cell
- Lattice constants
- a = 10.960 Å, b = 10.960 Å, c = 10.960 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 1316.5 ų
- Atoms in the conventional cell
- 60 (Ni 4, N 32, O 24)
- Formula units Z
- 4
- Pearson symbol
- cP60 — cubic, primitive lattice, 60 atoms per conventional cell
- Symmetry operations
- 24 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Ni3 | Ni | 4a | 4 | 0.0000 | 0.0000 | 0.0000 |
| N1 | N | 8c | 8 | 0.2500 | 0.2500 | 0.2500 |
| NH2 | N | 24d | 24 | 0.2400 | 0.0000 | 0.0000 |
| O4 | O | 24d | 24 | 0.2500 | 0.2500 | 0.0100 |
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 60 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
A2B6CD6_cP60_205_c_d_a_d-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol cP60, then the space-group number 205, then the Wyckoff letters occupied by each element in turn (Ni: 4a; N: 8c; N: 24d; O: 24d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Note: H6₄ (Obsolete).
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B6CD6_cP60_205_c_d_a_d-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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