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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| O1 | O | 8c | 8 | 0.9184 | 0.7599 | 0.5943 |
| O2 | O | 8c | 8 | 0.1535 | 0.0933 | 0.2792 |
| O3 | O | 8c | 8 | 0.3204 | 0.8859 | 0.5151 |
| O4 | O | 8c | 8 | 0.9562 | 0.2635 | 0.1999 |
| O5 | O | 8c | 8 | 0.4002 | 0.6199 | 0.5338 |
| O6 | O | 8c | 8 | 0.3428 | 0.4029 | 0.1739 |
| O7 | O | 8c | 8 | 0.5905 | 0.8125 | 0.5137 |
| O8 | O | 8c | 8 | 0.1615 | 0.4039 | 0.2868 |
| O9 | O | 8c | 8 | 0.1400 | 0.5892 | 0.1770 |
| P10 | P | 8c | 8 | 0.2437 | 0.5008 | 0.2287 |
| P11 | P | 8c | 8 | 0.4328 | 0.7681 | 0.4919 |
| Sr12 | Sr | 8c | 8 | 0.1501 | 0.9386 | 0.4026 |
| V13 | V | 8c | 8 | 0.0027 | 0.2500 | 0.2877 |
| Zn14 | Zn | 8c | 8 | 0.1972 | 0.9238 | 0.0661 |
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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