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SrCl₂cdot(H₂O)₆

Trigonal · space group P321 (No. 150) · Pearson hP21

Symmetry elements and Wyckoff positions (interactive)

SrCl₂cdot(H₂O)₆ in P321

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Sr6Sr1a10.00000.00000.0000
Cl1Cl2d20.33330.66670.4290
O4O3e30.31140.00000.0000
O5O3f30.78680.00000.5000
H2H6g60.43260.09880.9074
H3H6g60.76700.11130.4835

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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