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Crystal Lab › Prototype structures › Monoclinic

Al₄₅V₇

Monoclinic · space group C12/m1 (No. 12) · Pearson mC104

Symmetry elements and Wyckoff positions (interactive)

Al₄₅V₇ in C12/m1

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

Unit cell

Lattice constants
a = 20.828 Å, b = 7.621 Å, c = 20.540 Å; α = 90.00°, β = 148.94°, γ = 90.00°
Cell volume
1682.4 ų
Atoms in the conventional cell
104 (Al 90, V 14)
Formula units Z
2
Pearson symbol
mC104 — monoclinic, base-centred lattice, 104 atoms per conventional cell
Symmetry operations
8 per cell

Crystallographic sites

SiteElementWyckoffMultiplicityxyz
Al1Al2a20.00000.00000.0000
V17V2c20.00000.00000.5000
Al2Al4i40.38660.00000.2702
Al3Al4i40.78250.00000.9890
Al4Al4i40.01150.00000.1360
Al5Al4i40.76350.00000.7430
Al6Al4i40.63850.00000.0570
Al7Al4i40.01480.00000.3861
Al8Al4i40.24650.00000.6560
Al9Al4i40.23450.00000.5090
V18V4i40.01140.00000.2600
Al10Al8j80.82800.18300.1470
Al11Al8j80.07950.31800.5115
Al12Al8j80.67210.68000.7077
Al13Al8j80.93170.31800.1219
Al14Al8j80.42180.19400.8766
Al15Al8j80.31020.30700.6454
Al16Al8j80.07220.31400.3664
V19V8j80.66730.32700.0816

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 104 atoms drawn above are these sites multiplied by all 8 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

A45B7_mC104_12_a8i7j_cij-001: the stoichiometry comes first (A, B, C… are the elements in alphabetical order of their site labels), then the Pearson symbol mC104, then the space-group number 12, then the Wyckoff letters occupied by each element in turn (Al: 2a; V: 2c; Al: 4i; Al: 4i; Al: 4i; Al: 4i; Al: 4i; Al: 4i; Al: 4i; Al: 4i; V: 4i; Al: 8j; Al: 8j; Al: 8j; Al: 8j; Al: 8j; Al: 8j; Al: 8j; V: 8j). Two structures with the same label are the same arrangement with different cell parameters or coordinates.

Other compounds with this structure

Al₄₅Cr₇ <!--beginning with an

Source

Coordinates and cell from the AFLOW Encyclopedia of Crystallographic Prototypes, entry A45B7_mC104_12_a8i7j_cij-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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