Materials Data on Al11(CoSi)6 by Materials Project

Abstract

Al11(CoSi)6 crystallizes in the monoclinic P2_1/c 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 Si atoms. There are a spread of Co–Al bond distances ranging from 2.40–2.70 Å. Both Co–Si bond lengths are 2.28 Å. In the second Co site, Co is bonded in a 10-coordinate geometry to eight Al and two Si atoms. There are a spread of Co–Al bond distances ranging from 2.41–2.85 Å. Both Co–Si bond lengths are 2.29 Å. In the third Co site, Co is bonded in a 8-coordinate geometry to four Al and four Si atoms. There are a spread of Co–Al bond distances ranging from 2.46–2.68 Å. There are a spread of Co–Si bond distances ranging from 2.22–2.38 Å. In the fourth Co site, Co is bonded in a 10-coordinate geometry to eight Al and two Si atoms. There are a spread of Co–Al bond distances ranging from 2.44–2.91 Å. There are one shorter (2.28 Å) and one longer (2.31 Å) Co–Si bond lengths. In the fifth Co site, Co is bonded in a 10-coordinate geometry to eight Al and two Si atoms. There are a spread of Co–Al bond distances ranging from 2.42–3.11 Å. There are one shorter (2.25 Å) and one longer (2.30 Å) Co–Si bond lengths. In the sixth Co site, Co is bonded in a 8-coordinate geometry to four Al and four Si atoms. There are a spread of Co–Al bond distances ranging from 2.48–2.69 Å. There are a spread of Co–Si bond distances ranging from 2.23–2.44 Å. There are eleven inequivalent Al sites. In the first Al site, Al is bonded in a 11-coordinate geometry to three Co, three Al, and five Si atoms. There are a spread of Al–Al bond distances ranging from 2.66–2.75 Å. There are a spread of Al–Si bond distances ranging from 2.59–2.91 Å. In the second Al site, Al is bonded in a 11-coordinate geometry to four Co, three Al, and one Si atom. The Al–Al bond length is 2.72 Å. The Al–Si bond length is 2.58 Å. In the third Al site, Al is bonded in a 4-coordinate geometry to three Co, three Al, and one Si atom. There are a spread of Al–Al bond distances ranging from 2.75–2.77 Å. The Al–Si bond length is 2.56 Å. In the fourth Al site, Al is bonded in a 12-coordinate geometry to four Co, two Al, and one Si atom. The Al–Al bond length is 2.72 Å. The Al–Si bond length is 2.58 Å. In the fifth Al site, Al is bonded in a 8-coordinate geometry to four Co, two Al, and four Si atoms. The Al–Al bond length is 2.75 Å. There are a spread of Al–Si bond distances ranging from 2.67–2.81 Å. In the sixth Al site, Al is bonded in a 1-coordinate geometry to four Co, one Al, and three Si atoms. The Al–Al bond length is 2.70 Å. There are a spread of Al–Si bond distances ranging from 2.46–2.79 Å. In the seventh Al site, Al is bonded in a 6-coordinate geometry to three Co and three Si atoms. There are a spread of Al–Si bond distances ranging from 2.54–2.61 Å. In the eighth Al site, Al is bonded in a 3-coordinate geometry to three Co, two Al, and one Si atom. The Al–Al bond length is 2.76 Å. The Al–Si bond length is 2.58 Å. In the ninth Al site, Al is bonded in a 7-coordinate geometry to four Co and three Si atoms. There are a spread of Al–Si bond distances ranging from 2.59–2.66 Å. In the tenth Al site, Al is bonded in a 11-coordinate geometry to four Co, four Al, and three Si atoms. There are a spread of Al–Si bond distances ranging from 2.56–2.60 Å. In the eleventh Al site, Al is bonded in a 10-coordinate geometry to four Co, two Al, and four Si atoms. There are a spread of Al–Si bond distances ranging from 2.69–2.83 Å. There are six inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to two Co and six Al atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to two Co, five Al, and two Si atoms. There are one shorter (2.50 Å) and one longer (2.56 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 9-coordinate geometry to two Co, five Al, and two Si atoms. The Si–Si bond length is 2.48 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to two Co, five Al, and two Si atoms. In the fifth Si site, Si is bonded in a 8-coordinate geometry to four Co and four Al atoms. In the sixth Si site, Si is bonded in a 8-coordinate geometry to four Co and four Al atoms.