Skip to content

Crystal Lab › Prototype structures › Monoclinic

Cs₁₁O₃

Monoclinic · space group P121/c1 (No. 14) · Pearson mP56

Symmetry elements and Wyckoff positions (interactive)

Cs₁₁O₃ in P121/c1

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

Unit cell

Lattice constants
a = 17.610 Å, b = 9.218 Å, c = 24.047 Å; α = 90.00°, β = 100.14°, γ = 90.00°
Cell volume
3842.6 ų
Atoms in the conventional cell
56 (Cs 44, O 12)
Formula units Z
4
Pearson symbol
mP56 — monoclinic, primitive lattice, 56 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Cs10Cs4e40.84830.67160.8486
Cs1Cs4e40.62040.72060.7562
Cs11Cs4e40.76120.41980.3308
Cs2Cs4e40.90800.94200.7166
Cs3Cs4e40.77960.61570.6769
Cs4Cs4e40.69700.97950.6592
Cs5Cs4e40.56440.43090.6179
Cs6Cs4e40.47460.83240.5987
Cs7Cs4e40.93370.69740.5684
Cs8Cs4e40.83830.10370.5462
Cs9Cs4e40.68420.73710.5316
O12O4e40.77660.84140.7646
O13O4e40.82050.85540.6045
O14O4e40.61650.70360.6346

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 56 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

A11B3_mP56_14_11e_3e-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP56, then the space-group number 14, then the Wyckoff letters occupied by each element in turn (Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; Cs: 4e; O: 4e; O: 4e; O: 4e). 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 A11B3_mP56_14_11e_3e-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.

 ·  Space group P121/c1 (98 prototypes)  ·  All prototypes  ·  Mg₆Ir₂H₁₁: A13B2C6_mP168_14_26e_4e_12e-001 — H₁₁Ir₂Mg₆ →