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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| O10 | O | 2a | 2 | 0.0090 | 0.2290 | 0.9910 |
| O1 | O | 2a | 2 | 0.9160 | 0.0990 | 0.2240 |
| O11 | O | 2a | 2 | 0.6690 | 0.2430 | 0.0880 |
| O12 | O | 2a | 2 | 0.3350 | 0.3000 | 0.9110 |
| O13 | O | 2a | 2 | 0.7430 | 0.2630 | 0.4210 |
| O14 | O | 2a | 2 | 0.2780 | 0.2670 | 0.5840 |
| O15 | O | 2a | 2 | 0.9180 | 0.2390 | 0.6520 |
| O16 | O | 2a | 2 | 0.0780 | 0.2870 | 0.3260 |
| O17 | O | 2a | 2 | 0.1120 | 0.0100 | 0.4100 |
| O18 | O | 2a | 2 | 0.7920 | 0.0070 | 0.4970 |
| O19 | O | 2a | 2 | 0.3360 | 0.1620 | 0.2790 |
| O20 | O | 2a | 2 | 0.6110 | 0.8420 | 0.6870 |
| O2 | O | 2a | 2 | 0.1890 | 0.8890 | 0.7960 |
| O21 | O | 2a | 2 | 0.3310 | 0.8410 | 0.3010 |
| O22 | O | 2a | 2 | 0.6570 | 0.1550 | 0.6400 |
| O3 | O | 2a | 2 | 0.8710 | 0.9040 | 0.2580 |
| O4 | O | 2a | 2 | 0.1580 | 0.0790 | 0.8390 |
| O5 | O | 2a | 2 | 0.5580 | 0.0090 | 0.1930 |
| O6 | O | 2a | 2 | 0.4390 | 0.9950 | 0.8520 |
| O7 | O | 2a | 2 | 0.8030 | 0.0170 | 0.8340 |
| O8 | O | 2a | 2 | 0.2120 | 0.9760 | 0.0860 |
| O9 | O | 2a | 2 | 0.4300 | 0.9880 | 0.5170 |
| P23 | P | 2a | 2 | 0.9263 | 0.0046 | 0.3226 |
| P24 | P | 2a | 2 | 0.2492 | 0.9916 | 0.8943 |
| P25 | P | 2a | 2 | 0.7393 | 0.2582 | 0.6178 |
| P26 | P | 2a | 2 | 0.2486 | 0.2606 | 0.3820 |
| W27 | W | 2a | 2 | 0.3649 | 0.9976 | 0.3082 |
| W28 | W | 2a | 2 | 0.6415 | 0.9929 | 0.7024 |
| W29 | W | 2a | 2 | 0.8467 | 0.2501 | 0.1913 |
| W30 | W | 2a | 2 | 0.1538 | 0.2557 | 0.8074 |
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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