Crystal Lab › Prototype structures › Monoclinic
Monoclinic Co₄Al₁₃ Al₁₃Co₄
Monoclinic · space group C1m1 (No. 8) · Pearson mC102
Symmetry elements and Wyckoff positions (interactive)
Monoclinic Co₄Al₁₃ in C1m1
SettingUnit 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
| Site | Element | Wyckoff | Multiplicity | x | y | z |
|---|---|---|---|---|---|---|
| Al10 | Al | 2a | 2 | 0.0550 | 0.0000 | 0.1750 |
| Al1 | Al | 2a | 2 | 0.9450 | 0.0000 | 0.8260 |
| Al11 | Al | 2a | 2 | 0.3300 | 0.0000 | 0.2800 |
| Al12 | Al | 2a | 2 | 0.7680 | 0.0000 | 0.4680 |
| Al13 | Al | 2a | 2 | 0.9230 | 0.0000 | 0.4240 |
| Al14 | Al | 2a | 2 | 0.7550 | 0.0000 | 0.0340 |
| Al15 | Al | 2a | 2 | 0.5230 | 0.0000 | 0.1690 |
| Al16 | Al | 2a | 2 | 0.7030 | 0.0000 | 0.2310 |
| Al17 | Al | 2a | 2 | 0.9050 | 0.0000 | 0.2120 |
| Al2 | Al | 2a | 2 | 0.6710 | 0.0000 | 0.7200 |
| Al3 | Al | 2a | 2 | 0.2330 | 0.0000 | 0.5310 |
| Al4 | Al | 2a | 2 | 0.0770 | 0.0000 | 0.5760 |
| Al5 | Al | 2a | 2 | 0.2460 | 0.0000 | 0.9690 |
| Al6 | Al | 2a | 2 | 0.4780 | 0.0000 | 0.8310 |
| Al7 | Al | 2a | 2 | 0.4980 | 0.0000 | 0.5010 |
| Al8 | Al | 2a | 2 | 0.2980 | 0.0000 | 0.7700 |
| Al9 | Al | 2a | 2 | 0.0950 | 0.0000 | 0.7880 |
| Co29 | Co | 2a | 2 | 0.9140 | 0.0000 | 0.6180 |
| Co30 | Co | 2a | 2 | 0.3960 | 0.0000 | 0.6270 |
| Co31 | Co | 2a | 2 | 0.0910 | 0.0000 | 0.9880 |
| Co32 | Co | 2a | 2 | 0.4030 | 0.0000 | 0.9820 |
| Co33 | Co | 2a | 2 | 0.0870 | 0.0000 | 0.3830 |
| Co34 | Co | 2a | 2 | 0.6050 | 0.0000 | 0.3740 |
| Co35 | Co | 2a | 2 | 0.9100 | 0.0000 | 0.0130 |
| Co36 | Co | 2a | 2 | 0.5980 | 0.0000 | 0.0180 |
| Al18 | Al | 4b | 4 | 0.8150 | 0.2170 | 0.8890 |
| Al19 | Al | 4b | 4 | 0.6360 | 0.2100 | 0.8890 |
| Al20 | Al | 4b | 4 | 0.8240 | 0.2190 | 0.6660 |
| Al21 | Al | 4b | 4 | 0.5090 | 0.2240 | 0.6690 |
| Al22 | Al | 4b | 4 | 0.6330 | 0.2100 | 0.5230 |
| Al23 | Al | 4b | 4 | 0.5020 | 0.2480 | 0.0000 |
| Al24 | Al | 4b | 4 | 0.6860 | 0.2820 | 0.1120 |
| Al25 | Al | 4b | 4 | 0.8760 | 0.2710 | 0.1120 |
| Al26 | Al | 4b | 4 | 0.6780 | 0.2800 | 0.3340 |
| Al27 | Al | 4b | 4 | 0.9920 | 0.2790 | 0.3310 |
| Al28 | Al | 4b | 4 | 0.8690 | 0.2890 | 0.4680 |
| Co37 | Co | 4b | 4 | 0.6820 | 0.2920 | 0.7230 |
| Co38 | Co | 4b | 4 | 0.8180 | 0.2290 | 0.2780 |
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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