Crystal Lab › Prototype structures › Trigonal
SrCl₂cdot(H₂O)₆
Trigonal · space group P321 (No. 150) · Pearson hP21
Symmetry elements and Wyckoff positions (interactive)
SrCl₂cdot(H₂O)₆ in P321
SettingUnit cell
- Lattice constants
- a = 7.960 Å, b = 7.960 Å, c = 4.124 Å; α = 90.00°, β = 90.00°, γ = 120.00°
- Cell volume
- 226.3 ų
- Atoms in the conventional cell
- 21 (Sr 1, Cl 2, O 6, H 12)
- Formula units Z
- 1
- Pearson symbol
- hP21 — hexagonal / trigonal, primitive lattice, 21 atoms per conventional cell
- Symmetry operations
- 6 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Sr6 | Sr | 1a | 1 | 0.0000 | 0.0000 | 0.0000 |
| Cl1 | Cl | 2d | 2 | 0.3333 | 0.6667 | 0.4290 |
| O4 | O | 3e | 3 | 0.3114 | 0.0000 | 0.0000 |
| O5 | O | 3f | 3 | 0.7868 | 0.0000 | 0.5000 |
| H2 | H | 6g | 6 | 0.4326 | 0.0988 | 0.9074 |
| H3 | H | 6g | 6 | 0.7670 | 0.1113 | 0.4835 |
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 21 atoms drawn above are these sites multiplied by all 6 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
A2B12C6D_hP21_150_d_2g_ef_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol hP21, then the space-group number 150, then the Wyckoff letters occupied by each element in turn (Sr: 1a; Cl: 2d; O: 3e; O: 3f; H: 6g; H: 6g). 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 <!--beginning with an
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B12C6D_hP21_150_d_2g_ef_a-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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