Crystal Lab › Prototype structures › Orthorhombic
δ₁-LiZnPO₄ LiO₄PZn
Orthorhombic · space group Pna21 (No. 33) · Pearson oP28
Symmetry elements and Wyckoff positions (interactive)
δ₁-LiZnPO₄ in Pna21
SettingUnit cell
- Lattice constants
- a = 10.019 Å, b = 4.966 Å, c = 6.675 Å; α = 90.00°, β = 90.00°, γ = 90.00°
- Cell volume
- 332.1 ų
- Atoms in the conventional cell
- 28 (Li 4, O 16, P 4, Zn 4)
- Formula units Z
- 4
- Pearson symbol
- oP28 — orthorhombic, primitive lattice, 28 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Li1 | Li | 4a | 4 | 0.1569 | 0.8250 | 0.9894 |
| O2 | O | 4a | 4 | 0.9439 | 0.2455 | 0.7570 |
| O3 | O | 4a | 4 | 0.8863 | 0.3849 | 0.2528 |
| O4 | O | 4a | 4 | 0.3389 | 0.6996 | 0.4401 |
| O5 | O | 4a | 4 | 0.3396 | 0.6965 | 0.0552 |
| P6 | P | 4a | 4 | 0.0926 | 0.3164 | 0.7504 |
| Zn7 | Zn | 4a | 4 | 0.8449 | 0.1870 | 0.0000 |
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 28 atoms drawn above are these sites multiplied by all 4 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
AB4CD_oP28_33_a_4a_a_a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol oP28, then the space-group number 33, then the Wyckoff letters occupied by each element in turn (Li: 4a; O: 4a; O: 4a; O: 4a; O: 4a; P: 4a; Zn: 4a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.
Other compounds with this structure
LiCoPO₄, LiNiPO₄ <!--beginning with an
Note: \delta₁-LiZnPO₄.
Source
Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry AB4CD_oP28_33_a_4a_a_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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