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Crystal Lab › Prototype structures › Monoclinic

W₂O₃(PO₄)₂

Monoclinic · space group P1211 (No. 4) · Pearson mP60

Symmetry elements and Wyckoff positions (interactive)

W₂O₃(PO₄)₂ in P1211

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

Unit cell

Lattice constants
a = 7.754 Å, b = 12.500 Å, c = 7.822 Å; α = 90.00°, β = 88.95°, γ = 90.00°
Cell volume
758.0 ų
Atoms in the conventional cell
60 (O 44, P 8, W 8)
Formula units Z
4
Pearson symbol
mP60 — monoclinic, primitive lattice, 60 atoms per conventional cell
Symmetry operations
2 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
O10O2a20.00900.22900.9910
O1O2a20.91600.09900.2240
O11O2a20.66900.24300.0880
O12O2a20.33500.30000.9110
O13O2a20.74300.26300.4210
O14O2a20.27800.26700.5840
O15O2a20.91800.23900.6520
O16O2a20.07800.28700.3260
O17O2a20.11200.01000.4100
O18O2a20.79200.00700.4970
O19O2a20.33600.16200.2790
O20O2a20.61100.84200.6870
O2O2a20.18900.88900.7960
O21O2a20.33100.84100.3010
O22O2a20.65700.15500.6400
O3O2a20.87100.90400.2580
O4O2a20.15800.07900.8390
O5O2a20.55800.00900.1930
O6O2a20.43900.99500.8520
O7O2a20.80300.01700.8340
O8O2a20.21200.97600.0860
O9O2a20.43000.98800.5170
P23P2a20.92630.00460.3226
P24P2a20.24920.99160.8943
P25P2a20.73930.25820.6178
P26P2a20.24860.26060.3820
W27W2a20.36490.99760.3082
W28W2a20.64150.99290.7024
W29W2a20.84670.25010.1913
W30W2a20.15380.25570.8074

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 60 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

A11B2C2_mP60_4_22a_4a_4a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP60, then the space-group number 4, then the Wyckoff letters occupied by each element in turn (O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; O: 2a; P: 2a; P: 2a; P: 2a; P: 2a; W: 2a; W: 2a; W: 2a; W: 2a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A11B2C2_mP60_4_22a_4a_4a-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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