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Monoclinic Co₄Al₁₃ Al₁₃Co₄

Monoclinic · space group C1m1 (No. 8) · Pearson mC102

Symmetry elements and Wyckoff positions (interactive)

Monoclinic Co₄Al₁₃ in C1m1

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

Unit cell

Lattice constants
a = 15.183 Å, b = 8.122 Å, c = 12.340 Å; α = 90.00°, β = 107.90°, γ = 90.00°
Cell volume
1448.1 ų
Atoms in the conventional cell
102 (Al 78, Co 24)
Formula units Z
6
Pearson symbol
mC102 — monoclinic, base-centred lattice, 102 atoms per conventional cell
Symmetry operations
4 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Al10Al2a20.05500.00000.1750
Al1Al2a20.94500.00000.8260
Al11Al2a20.33000.00000.2800
Al12Al2a20.76800.00000.4680
Al13Al2a20.92300.00000.4240
Al14Al2a20.75500.00000.0340
Al15Al2a20.52300.00000.1690
Al16Al2a20.70300.00000.2310
Al17Al2a20.90500.00000.2120
Al2Al2a20.67100.00000.7200
Al3Al2a20.23300.00000.5310
Al4Al2a20.07700.00000.5760
Al5Al2a20.24600.00000.9690
Al6Al2a20.47800.00000.8310
Al7Al2a20.49800.00000.5010
Al8Al2a20.29800.00000.7700
Al9Al2a20.09500.00000.7880
Co29Co2a20.91400.00000.6180
Co30Co2a20.39600.00000.6270
Co31Co2a20.09100.00000.9880
Co32Co2a20.40300.00000.9820
Co33Co2a20.08700.00000.3830
Co34Co2a20.60500.00000.3740
Co35Co2a20.91000.00000.0130
Co36Co2a20.59800.00000.0180
Al18Al4b40.81500.21700.8890
Al19Al4b40.63600.21000.8890
Al20Al4b40.82400.21900.6660
Al21Al4b40.50900.22400.6690
Al22Al4b40.63300.21000.5230
Al23Al4b40.50200.24800.0000
Al24Al4b40.68600.28200.1120
Al25Al4b40.87600.27100.1120
Al26Al4b40.67800.28000.3340
Al27Al4b40.99200.27900.3310
Al28Al4b40.86900.28900.4680
Co37Co4b40.68200.29200.7230
Co38Co4b40.81800.22900.2780

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 102 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

A13B4_mC102_8_17a11b_8a2b-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC102, then the space-group number 8, then the Wyckoff letters occupied by each element in turn (Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Al: 2a; Co: 2a; Co: 2a; Co: 2a; Co: 2a; Co: 2a; Co: 2a; Co: 2a; Co: 2a; Al: 4b; Al: 4b; Al: 4b; Al: 4b; Al: 4b; Al: 4b; Al: 4b; Al: 4b; Al: 4b; Al: 4b; Al: 4b; Co: 4b; Co: 4b). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Note: Monoclinic.

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A13B4_mC102_8_17a11b_8a2b-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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