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Crystal Lab › Prototype structures › Monoclinic

Low Temperature Mo₈O₂₃

Monoclinic · space group P1c1 (No. 7) · Pearson mP124

Symmetry elements and Wyckoff positions (interactive)

Low Temperature Mo₈O₂₃ in P1c1

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

Unit cell

Lattice constants
a = 13.390 Å, b = 8.062 Å, c = 16.820 Å; α = 90.00°, β = 106.02°, γ = 90.00°
Cell volume
1745.2 ų
Atoms in the conventional cell
124 (Mo 32, O 92)
Formula units Z
4
Pearson symbol
mP124 — monoclinic, primitive lattice, 124 atoms per conventional cell
Symmetry operations
2 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Mo10Mo2a20.31490.29540.5813
Mo1Mo2a20.93880.29160.5812
Mo11Mo2a20.68440.79360.9226
Mo12Mo2a20.31550.79970.5790
Mo13Mo2a20.55280.20430.5985
Mo14Mo2a20.44630.20600.9030
Mo15Mo2a20.55300.70360.5988
Mo16Mo2a20.44540.70490.9019
Mo2Mo2a20.06520.29230.9183
Mo3Mo2a20.93510.79280.5830
Mo4Mo2a20.06750.79350.9153
Mo5Mo2a20.81580.20870.7521
Mo6Mo2a20.18240.20600.7457
Mo7Mo2a20.81380.70700.7552
Mo8Mo2a20.18440.70490.7437
Mo9Mo2a20.68460.28990.9204
O17O2a20.92210.99890.5950
O18O2a20.07280.00120.9109
O19O2a20.93930.49900.5704
O20O2a20.04860.50480.9217
O21O2a20.80710.49120.7661
O22O2a20.20240.50400.7387
O23O2a20.81000.99710.7426
O24O2a20.17840.99600.7522
O25O2a20.67860.00820.9330
O26O2a20.31870.00600.5697
O27O2a20.68480.50000.9118
O28O2a20.32250.50670.5848
O29O2a20.55640.49780.5926
O30O2a20.45400.48850.9005
O31O2a20.54790.98910.5848
O32O2a20.44200.99740.9065
O33O2a20.00020.25050.0015
O34O2a20.99760.79000.0015
O35O2a20.93940.24670.8399
O36O2a20.06720.24290.6718
O37O2a20.93990.75420.8411
O38O2a20.06730.74280.6683
O39O2a20.87350.27070.6726
O40O2a20.13320.27760.8341
O41O2a20.86590.71860.6712
O42O2a20.12440.71300.8308
O43O2a20.79890.24640.5071
O44O2a20.19930.25820.0010
O45O2a20.80570.73510.5079
O46O2a20.20060.74760.9982
O47O2a20.74070.24370.8422
O48O2a20.25830.22900.6664
O49O2a20.74210.77180.8395
O50O2a20.26490.78230.6700
O51O2a20.67740.25450.6757
O52O2a20.32920.23160.8294
O53O2a20.67750.74450.6785
O54O2a20.32980.75120.8343
O55O2a20.59150.25800.9967
O56O2a20.41580.26200.5070
O57O2a20.59760.74510.0013
O58O2a20.41360.73980.5096
O59O2a20.54580.24770.8508
O60O2a20.45840.23370.6609
O61O2a20.54860.74440.8488
O62O2a20.46810.75390.6565

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 124 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

A8B23_mP124_7_16a_46a-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mP124, then the space-group number 7, then the Wyckoff letters occupied by each element in turn (Mo: 2a; Mo: 2a; Mo: 2a; Mo: 2a; Mo: 2a; Mo: 2a; Mo: 2a; Mo: 2a; Mo: 2a; Mo: 2a; Mo: 2a; Mo: 2a; Mo: 2a; Mo: 2a; Mo: 2a; Mo: 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; 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; O: 2a; O: 2a; O: 2a). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: LT.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A8B23_mP124_7_16a_46a-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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