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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

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Li1Li4a40.15690.82500.9894
O2O4a40.94390.24550.7570
O3O4a40.88630.38490.2528
O4O4a40.33890.69960.4401
O5O4a40.33960.69650.0552
P6P4a40.09260.31640.7504
Zn7Zn4a40.84490.18700.0000

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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