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Crystal Lab › Prototype structures › Triclinic

Li₂WO₄ (V)

Triclinic · space group P-1 (No. 2) · Pearson aP28

Symmetry elements and Wyckoff positions (interactive)

Li₂WO₄ (V) in P-1

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

Unit cell

Lattice constants
a = 5.274 Å, b = 7.777 Å, c = 7.973 Å; α = 105.83°, β = 103.39°, γ = 90.58°
Cell volume
305.1 ų
Atoms in the conventional cell
28 (Li 8, O 16, W 4)
Formula units Z
4
Pearson symbol
aP28 — triclinic, primitive lattice, 28 atoms per conventional cell
Symmetry operations
2 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Li1Li2i20.89900.64500.0730
Li2Li2i20.29600.78700.9760
Li3Li2i20.75800.95300.4030
Li4Li2i20.90000.32700.4700
O10O2i20.57900.21780.5197
O11O2i20.40860.66440.7613
O12O2i20.74320.56560.5831
O5O2i20.91900.80130.9313
O6O2i20.73700.41840.8803
O7O2i20.21100.32320.7123
O8O2i20.93700.91030.6318
O9O2i20.53600.01920.8150
W13W2i20.49870.42090.6849
W14W2i20.70860.82940.7349

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 2 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

A2B4C_aP28_2_4i_8i_2i-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol aP28, then the space-group number 2, then the Wyckoff letters occupied by each element in turn (Li: 2i; Li: 2i; Li: 2i; Li: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; O: 2i; W: 2i; W: 2i). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: V.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A2B4C_aP28_2_4i_8i_2i-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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