Materials Data on Al14Co5Si2 by Materials Project
Co5Al14Si2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are six inequivalent Co sites. In the first Co site, Co is bonded in a 10-coordinate geometry to eight Al and two equivalent Si atoms. There are a spread of Co–Al bond distances ranging from 2.43–2.63 Å. There are one shorter (2.38 Å) and one longer (2.41 Å) Co–Si bond lengths. In the second Co site, Co is bonded in a 9-coordinate geometry to ten Al atoms. There are a spread of Co–Al bond distances ranging from 2.38–3.18 Å. In the third Co site, Co is bonded in a 9-coordinate geometry to eight Al and one Si atom. There are a spread of Co–Al bond distances ranging from 2.43–2.64 Å. The Co–Si bond length is 2.37 Å. In the fourth Co site, Co is bonded in a 9-coordinate geometry to eight Al and one Si atom. There are a spread of Co–Al bond distances ranging from 2.41–2.61 Å. The Co–Si bond length is 2.39 Å. In the fifth Co site, Co is bonded in a 10-coordinate geometry to one Co, eight Al, and two Si atoms. The Co–Co bond length is 2.72 Å. There are a spread of Co–Al bond distances ranging from 2.43–2.78 Å. There are one shorter (2.29 Å) and one longer (2.37 Å) Co–Si bond lengths. In the sixth Co site, Co is bonded in a 11-coordinate geometry to one Co, nine Al, and one Si atom. There are a spread of Co–Al bond distances ranging from 2.34–2.84 Å. The Co–Si bond length is 2.58 Å. There are fifteen inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to three Co and two Al atoms. There are one shorter (2.76 Å) and one longer (2.91 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 6-coordinate geometry to four Co and two Si atoms. There are one shorter (2.65 Å) and one longer (2.67 Å) Al–Si bond lengths. In the third Al site, Al is bonded in a 4-coordinate geometry to three Co and one Si atom. The Al–Si bond length is 2.60 Å. In the fourth Al site, Al is bonded in a 4-coordinate geometry to three Co, two Al, and one Si atom. There are one shorter (2.57 Å) and one longer (2.88 Å) Al–Al bond lengths. The Al–Si bond length is 2.59 Å. In the fifth Al site, Al is bonded in a 3-coordinate geometry to two Co, one Al, and one Si atom. The Al–Al bond length is 2.68 Å. The Al–Si bond length is 2.70 Å. In the sixth Al site, Al is bonded in a 2-coordinate geometry to three Co and two Al atoms. There are one shorter (2.57 Å) and one longer (2.87 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a 1-coordinate geometry to four Co, two equivalent Al, and one Si atom. Both Al–Al bond lengths are 2.81 Å. The Al–Si bond length is 2.68 Å. In the eighth Al site, Al is bonded in a 4-coordinate geometry to three Co, two equivalent Al, and one Si atom. There are one shorter (2.70 Å) and one longer (2.81 Å) Al–Al bond lengths. The Al–Si bond length is 2.64 Å. In the ninth Al site, Al is bonded in a 3-coordinate geometry to four Co and seven Al atoms. The Al–Al bond length is 2.79 Å. In the tenth Al site, Al is bonded in a 3-coordinate geometry to three Co, one Al, and one Si atom. The Al–Si bond length is 2.55 Å. In the eleventh Al site, Al is bonded in a 3-coordinate geometry to two Co, one Al, and one Si atom. The Al–Al bond length is 2.90 Å. The Al–Si bond length is 2.71 Å. In the twelfth Al site, Al is bonded in a 3-coordinate geometry to three Co and one Al atom. The Al–Al bond length is 2.61 Å. In the thirteenth Al site, Al is bonded in a 4-coordinate geometry to three Co and one Si atom. The Al–Si bond length is 2.62 Å. In the fourteenth Al site, Al is bonded in a 1-coordinate geometry to three Co, seven Al, and one Si atom. There are one shorter (2.63 Å) and one longer (2.97 Å) Al–Al bond lengths. The Al–Si bond length is 2.64 Å. In the fifteenth Al site, Al is bonded in a 3-coordinate geometry to three Co, four Al, and two Si atoms. There are one shorter (2.72 Å) and one longer (2.76 Å) Al–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to two equivalent Co, six Al, and one Si atom. The Si–Si bond length is 2.51 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to three Co and six Al atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to four Co and five Al atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1280528
- Report Number(s):
- mp-645302
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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