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Crystal Lab › Prototype structures › Orthorhombic

SbCl₅cdotPOCl₃

Orthorhombic · space group Pnma (No. 62) · Pearson oP44

Symmetry elements and Wyckoff positions (interactive)

SbCl₅cdotPOCl₃ in Pnma

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

Unit cell

Lattice constants
a = 16.420 Å, b = 8.060 Å, c = 8.930 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
1181.8 ų
Atoms in the conventional cell
44 (Cl 32, O 4, P 4, Sb 4)
Formula units Z
4
Pearson symbol
oP44 — orthorhombic, primitive lattice, 44 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Cl1Cl4c40.25850.25000.9195
Cl2Cl4c40.02020.25000.2048
Cl3Cl4c40.22490.25000.2938
Cl4Cl4c40.46440.25000.8699
O7O4c40.07060.25000.8774
P8P4c40.07420.25000.7142
Sb9Sb4c40.14500.25000.0797
Cl5Cl8d80.13140.44420.6327
Cl6Cl8d80.14050.53830.0597

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 44 atoms drawn above are these sites multiplied by all 8 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

A8BCD_oP44_62_4c2d_c_c_c-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP44, then the space-group number 62, then the Wyckoff letters occupied by each element in turn (Cl: 4c; Cl: 4c; Cl: 4c; Cl: 4c; O: 4c; P: 4c; Sb: 4c; Cl: 8d; Cl: 8d). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

SbCl₅cdotPOCl₃(CH₃)₃ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A8BCD_oP44_62_4c2d_c_c_c-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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