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
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Al1 | Al | 2a | 2 | 0.0000 | 0.0000 | 0.0000 |
| V17 | V | 2c | 2 | 0.0000 | 0.0000 | 0.5000 |
| Al2 | Al | 4i | 4 | 0.3866 | 0.0000 | 0.2702 |
| Al3 | Al | 4i | 4 | 0.7825 | 0.0000 | 0.9890 |
| Al4 | Al | 4i | 4 | 0.0115 | 0.0000 | 0.1360 |
| Al5 | Al | 4i | 4 | 0.7635 | 0.0000 | 0.7430 |
| Al6 | Al | 4i | 4 | 0.6385 | 0.0000 | 0.0570 |
| Al7 | Al | 4i | 4 | 0.0148 | 0.0000 | 0.3861 |
| Al8 | Al | 4i | 4 | 0.2465 | 0.0000 | 0.6560 |
| Al9 | Al | 4i | 4 | 0.2345 | 0.0000 | 0.5090 |
| V18 | V | 4i | 4 | 0.0114 | 0.0000 | 0.2600 |
| Al10 | Al | 8j | 8 | 0.8280 | 0.1830 | 0.1470 |
| Al11 | Al | 8j | 8 | 0.0795 | 0.3180 | 0.5115 |
| Al12 | Al | 8j | 8 | 0.6721 | 0.6800 | 0.7077 |
| Al13 | Al | 8j | 8 | 0.9317 | 0.3180 | 0.1219 |
| Al14 | Al | 8j | 8 | 0.4218 | 0.1940 | 0.8766 |
| Al15 | Al | 8j | 8 | 0.3102 | 0.3070 | 0.6454 |
| Al16 | Al | 8j | 8 | 0.0722 | 0.3140 | 0.3664 |
| V19 | V | 8j | 8 | 0.6673 | 0.3270 | 0.0816 |
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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