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Crystal Lab › Prototype structures › Monoclinic

Cs₆W₁₁O₃₆

Monoclinic · space group C1c1 (No. 9) · Pearson mC212

Symmetry elements and Wyckoff positions (interactive)

Cs₆W₁₁O₃₆ in C1c1

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

Unit 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

SiteElementWyckoffMultiplicityxyz
Cs1Cs4a40.16900.00010.2794
Cs2Cs4a40.79710.00170.2214
Cs3Cs4a40.25180.99740.9013
Cs4Cs4a40.71830.00250.1008
Cs5Cs4a40.02520.99420.0638
Cs6Cs4a40.94200.00370.9375
O10O4a40.25100.02000.2090
O11O4a40.18600.00900.9930
O12O4a40.29300.82400.0480
O13O4a40.29900.20300.0480
O14O4a40.44700.81100.1060
O15O4a40.43900.20200.1120
O16O4a40.84800.31800.1680
O17O4a40.38200.16800.1640
O18O4a40.62800.32600.1480
O19O4a40.64100.69100.1530
O20O4a40.56800.30300.2090
O21O4a40.54700.70200.2160
O22O4a40.36000.20000.9880
O23O4a40.37300.81400.9940
O24O4a40.58600.16400.0140
O25O4a40.59300.81300.0130
O26O4a40.58900.18700.3330
O27O4a40.60400.81500.3320
O28O4a40.81500.17400.3480
O29O4a40.81100.81200.3540
O30O4a40.90900.21500.2870
O31O4a40.92100.80700.2930
O32O4a40.69600.82300.9560
O33O4a40.68300.17200.9520
O34O4a40.01300.68800.3890
O35O4a40.01300.33000.3930
O36O4a40.78100.00400.0140
O37O4a40.55700.97800.1680
O38O4a40.96300.96700.1540
O39O4a40.70300.99700.2880
O40O4a40.70800.01600.3910
O41O4a40.00500.99800.3510
O42O4a40.49800.01300.9500
O7O4a40.47200.01000.0440
O8O4a40.41800.98000.3330
O9O4a40.26900.00700.1080
W43W4a40.75000.23420.0000
W44W4a40.71920.73540.0000
W45W4a40.51700.24760.1653
W46W4a40.96190.76820.3346
W47W4a40.94470.25390.3352
W48W4a40.50220.74470.1651
W49W4a40.36750.00510.0841
W50W4a40.58940.99500.9165
W51W4a40.25720.02290.1659
W52W4a40.70870.98720.3356
W53W4a40.48340.02980.0000

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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