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Crystal Lab › Prototype structures › Orthorhombic

SrZn(VO)(PO₄)₂

Orthorhombic · space group Pbca (No. 61) · Pearson oP112

Symmetry elements and Wyckoff positions (interactive)

SrZn(VO)(PO₄)₂ in Pbca

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

Unit cell

Lattice constants
a = 9.066 Å, b = 9.012 Å, c = 17.513 Å; α = 90.00°, β = 90.00°, γ = 90.00°
Cell volume
1430.9 ų
Atoms in the conventional cell
112 (O 72, P 16, Sr 8, V 8, Zn 8)
Formula units Z
8
Pearson symbol
oP112 — orthorhombic, primitive lattice, 112 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
O1O8c80.91840.75990.5943
O2O8c80.15350.09330.2792
O3O8c80.32040.88590.5151
O4O8c80.95620.26350.1999
O5O8c80.40020.61990.5338
O6O8c80.34280.40290.1739
O7O8c80.59050.81250.5137
O8O8c80.16150.40390.2868
O9O8c80.14000.58920.1770
P10P8c80.24370.50080.2287
P11P8c80.43280.76810.4919
Sr12Sr8c80.15010.93860.4026
V13V8c80.00270.25000.2877
Zn14Zn8c80.19720.92380.0661

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 112 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

A9B2CDE_oP112_61_9c_2c_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 oP112, then the space-group number 61, then the Wyckoff letters occupied by each element in turn (O: 8c; O: 8c; O: 8c; O: 8c; O: 8c; O: 8c; O: 8c; O: 8c; O: 8c; P: 8c; P: 8c; Sr: 8c; V: 8c; Zn: 8c). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

BaCd(VO)(PO₄)₂, BaPb(VO)(PO₄)₂, BaSr(VO)(PO₄)₂, BaZn(VO)(PO₄)₂, CdPb(VO)(PO₄)₂, CdSr(VO)(PO₄)₂, CdZn(VO)(PO₄)₂, PbSr(VO)(PO₄)₂, PbZn(VO)(PO₄)₂, SrZn(VO)(PO₄)₂, Pb₂(VO)(PO₄)₂ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A9B2CDE_oP112_61_9c_2c_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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