Crystal Lab › Prototype structures › Trigonal
I1₃ [SrCl₂cdot(H₂O)₆] ( Obsolete )
Trigonal · space group P-31m (No. 162) · Pearson hP9 · Strukturbericht I13
Symmetry elements and Wyckoff positions (interactive)
I1₃ [SrCl₂cdot(H₂O)₆] ( Obsolete ) in P-31m
SettingUnit cell
- Lattice constants
- a = 7.906 Å, b = 7.906 Å, c = 4.070 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 220.3 ų
- Atoms in the conventional cell
- 9 (Sr 1, Cl 2, H 6)
- Formula units Z
- 1
- Pearson symbol
- hP9 — hexagonal / trigonal, primitive lattice, 9 atoms per conventional cell
- Symmetry operations
- 12 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Sr3 | Sr | 1b | 1 | 0.0000 | 0.0000 | 0.5000 |
| Cl1 | Cl | 2c | 2 | 0.3333 | 0.6667 | 0.0000 |
| H2 | H | 6k | 6 | 0.6130 | 0.0000 | 0.5162 |
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 9 atoms drawn above are these sites multiplied by all 12 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
A2B6C_hP9_162_c_k_b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP9, then the space-group number 162, then the Wyckoff letters occupied by each element in turn (Sr: 1b; Cl: 2c; H: 6k). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
CaCl₂cdot(H₂O)₆, CaBr₂cdot(H₂O)₆, SrBr₂cdot(H₂O)₆, CaI₂cdot(H₂O)₆, SrI₂cdot(H₂O)₆, BaI₂cdot(H₂O)₆ <!--beginning with an
Note: I1₃ (Obsolete).
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B6C_hP9_162_c_k_b-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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