Crystal Lab › Prototype structures › Monoclinic
Cs₆W₁₁O₃₆
Monoclinic · space group C1c1 (No. 9) · Pearson mC212
Symmetry elements and Wyckoff positions (interactive)
Cs₆W₁₁O₃₆ in C1c1
SettingUnit cell
- Lattice constants
- a = 12.577 Å, b = 7.261 Å, c = 37.800 Å; α = 90.00°, β = 102.81°, γ = 90.00°
- Cell volume
- 3366.0 ų
- Atoms in the conventional cell
- 212 (Cs 24, O 144, W 44)
- Formula units Z
- 4
- Pearson symbol
- mC212 — monoclinic, base-centred lattice, 212 atoms per conventional cell
- Symmetry operations
- 4 per cell
Crystallographic sites
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Cs1 | Cs | 4a | 4 | 0.1690 | 0.0001 | 0.2794 |
| Cs2 | Cs | 4a | 4 | 0.7971 | 0.0017 | 0.2214 |
| Cs3 | Cs | 4a | 4 | 0.2518 | 0.9974 | 0.9013 |
| Cs4 | Cs | 4a | 4 | 0.7183 | 0.0025 | 0.1008 |
| Cs5 | Cs | 4a | 4 | 0.0252 | 0.9942 | 0.0638 |
| Cs6 | Cs | 4a | 4 | 0.9420 | 0.0037 | 0.9375 |
| O10 | O | 4a | 4 | 0.2510 | 0.0200 | 0.2090 |
| O11 | O | 4a | 4 | 0.1860 | 0.0090 | 0.9930 |
| O12 | O | 4a | 4 | 0.2930 | 0.8240 | 0.0480 |
| O13 | O | 4a | 4 | 0.2990 | 0.2030 | 0.0480 |
| O14 | O | 4a | 4 | 0.4470 | 0.8110 | 0.1060 |
| O15 | O | 4a | 4 | 0.4390 | 0.2020 | 0.1120 |
| O16 | O | 4a | 4 | 0.8480 | 0.3180 | 0.1680 |
| O17 | O | 4a | 4 | 0.3820 | 0.1680 | 0.1640 |
| O18 | O | 4a | 4 | 0.6280 | 0.3260 | 0.1480 |
| O19 | O | 4a | 4 | 0.6410 | 0.6910 | 0.1530 |
| O20 | O | 4a | 4 | 0.5680 | 0.3030 | 0.2090 |
| O21 | O | 4a | 4 | 0.5470 | 0.7020 | 0.2160 |
| O22 | O | 4a | 4 | 0.3600 | 0.2000 | 0.9880 |
| O23 | O | 4a | 4 | 0.3730 | 0.8140 | 0.9940 |
| O24 | O | 4a | 4 | 0.5860 | 0.1640 | 0.0140 |
| O25 | O | 4a | 4 | 0.5930 | 0.8130 | 0.0130 |
| O26 | O | 4a | 4 | 0.5890 | 0.1870 | 0.3330 |
| O27 | O | 4a | 4 | 0.6040 | 0.8150 | 0.3320 |
| O28 | O | 4a | 4 | 0.8150 | 0.1740 | 0.3480 |
| O29 | O | 4a | 4 | 0.8110 | 0.8120 | 0.3540 |
| O30 | O | 4a | 4 | 0.9090 | 0.2150 | 0.2870 |
| O31 | O | 4a | 4 | 0.9210 | 0.8070 | 0.2930 |
| O32 | O | 4a | 4 | 0.6960 | 0.8230 | 0.9560 |
| O33 | O | 4a | 4 | 0.6830 | 0.1720 | 0.9520 |
| O34 | O | 4a | 4 | 0.0130 | 0.6880 | 0.3890 |
| O35 | O | 4a | 4 | 0.0130 | 0.3300 | 0.3930 |
| O36 | O | 4a | 4 | 0.7810 | 0.0040 | 0.0140 |
| O37 | O | 4a | 4 | 0.5570 | 0.9780 | 0.1680 |
| O38 | O | 4a | 4 | 0.9630 | 0.9670 | 0.1540 |
| O39 | O | 4a | 4 | 0.7030 | 0.9970 | 0.2880 |
| O40 | O | 4a | 4 | 0.7080 | 0.0160 | 0.3910 |
| O41 | O | 4a | 4 | 0.0050 | 0.9980 | 0.3510 |
| O42 | O | 4a | 4 | 0.4980 | 0.0130 | 0.9500 |
| O7 | O | 4a | 4 | 0.4720 | 0.0100 | 0.0440 |
| O8 | O | 4a | 4 | 0.4180 | 0.9800 | 0.3330 |
| O9 | O | 4a | 4 | 0.2690 | 0.0070 | 0.1080 |
| W43 | W | 4a | 4 | 0.7500 | 0.2342 | 0.0000 |
| W44 | W | 4a | 4 | 0.7192 | 0.7354 | 0.0000 |
| W45 | W | 4a | 4 | 0.5170 | 0.2476 | 0.1653 |
| W46 | W | 4a | 4 | 0.9619 | 0.7682 | 0.3346 |
| W47 | W | 4a | 4 | 0.9447 | 0.2539 | 0.3352 |
| W48 | W | 4a | 4 | 0.5022 | 0.7447 | 0.1651 |
| W49 | W | 4a | 4 | 0.3675 | 0.0051 | 0.0841 |
| W50 | W | 4a | 4 | 0.5894 | 0.9950 | 0.9165 |
| W51 | W | 4a | 4 | 0.2572 | 0.0229 | 0.1659 |
| W52 | W | 4a | 4 | 0.7087 | 0.9872 | 0.3356 |
| W53 | W | 4a | 4 | 0.4834 | 0.0298 | 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 212 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
A6B36C11_mC212_9_6a_36a_11a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC212, then the space-group number 9, then the Wyckoff letters occupied by each element in turn (Cs: 4a; Cs: 4a; Cs: 4a; Cs: 4a; Cs: 4a; Cs: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; O: 4a; W: 4a; W: 4a; W: 4a; W: 4a; W: 4a; W: 4a; W: 4a; W: 4a; W: 4a; W: 4a; W: 4a). 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 A6B36C11_mC212_9_6a_36a_11a-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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