Materials Data on Sm8Al53Si17Ru12 by Materials Project
Sm8Ru12Al53Si17 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to nine Al and three Si atoms. There are a spread of Sm–Al bond distances ranging from 3.16–3.23 Å. All Sm–Si bond lengths are 2.99 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to nine Al and three Si atoms. There are a spread of Sm–Al bond distances ranging from 3.15–3.24 Å. There are one shorter (2.98 Å) and two longer (2.99 Å) Sm–Si bond lengths. In the third Sm site, Sm is bonded in a 12-coordinate geometry to nine Al and three Si atoms. There are a spread of Sm–Al bond distances ranging from 3.13–3.25 Å. All Sm–Si bond lengths are 2.98 Å. In the fourth Sm site, Sm is bonded in a 12-coordinate geometry to nine Al and three Si atoms. There are a spread of Sm–Al bond distances ranging from 3.14–3.26 Å. There are a spread of Sm–Si bond distances ranging from 2.97–2.99 Å. In the fifth Sm site, Sm is bonded in a 12-coordinate geometry to nine Al and three Si atoms. There are a spread of Sm–Al bond distances ranging from 3.14–3.25 Å. All Sm–Si bond lengths are 2.97 Å. In the sixth Sm site, Sm is bonded in a 12-coordinate geometry to nine Al and three Si atoms. There are a spread of Sm–Al bond distances ranging from 3.14–3.24 Å. There are a spread of Sm–Si bond distances ranging from 2.97–2.99 Å. In the seventh Sm site, Sm is bonded in a 12-coordinate geometry to nine Al and three Si atoms. There are a spread of Sm–Al bond distances ranging from 3.15–3.24 Å. There are a spread of Sm–Si bond distances ranging from 2.97–2.99 Å. In the eighth Sm site, Sm is bonded in a 12-coordinate geometry to nine Al and three Si atoms. There are a spread of Sm–Al bond distances ranging from 3.14–3.24 Å. There are two shorter (2.98 Å) and one longer (2.99 Å) Sm–Si bond lengths. There are twelve inequivalent Ru sites. In the first Ru site, Ru is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ru–Al bond distances ranging from 2.47–2.63 Å. In the second Ru site, Ru is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ru–Al bond distances ranging from 2.46–2.63 Å. In the third Ru site, Ru is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ru–Al bond distances ranging from 2.45–2.63 Å. In the fourth Ru site, Ru is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ru–Al bond distances ranging from 2.47–2.62 Å. In the fifth Ru site, Ru is bonded in a 9-coordinate geometry to eight Al and one Si atom. There are a spread of Ru–Al bond distances ranging from 2.59–2.63 Å. The Ru–Si bond length is 2.40 Å. In the sixth Ru site, Ru is bonded in a 9-coordinate geometry to eight Al and one Si atom. There are a spread of Ru–Al bond distances ranging from 2.60–2.62 Å. The Ru–Si bond length is 2.39 Å. In the seventh Ru site, Ru is bonded in a 9-coordinate geometry to eight Al and one Si atom. There are a spread of Ru–Al bond distances ranging from 2.59–2.64 Å. The Ru–Si bond length is 2.40 Å. In the eighth Ru site, Ru is bonded in a 9-coordinate geometry to eight Al and one Si atom. There are a spread of Ru–Al bond distances ranging from 2.59–2.63 Å. The Ru–Si bond length is 2.40 Å. In the ninth Ru site, Ru is bonded in a 9-coordinate geometry to eight Al and one Si atom. There are a spread of Ru–Al bond distances ranging from 2.58–2.62 Å. The Ru–Si bond length is 2.39 Å. In the tenth Ru site, Ru is bonded in a 9-coordinate geometry to eight Al and one Si atom. There are a spread of Ru–Al bond distances ranging from 2.59–2.65 Å. The Ru–Si bond length is 2.40 Å. In the eleventh Ru site, Ru is bonded in a 9-coordinate geometry to eight Al and one Si atom. There are a spread of Ru–Al bond distances ranging from 2.60–2.62 Å. The Ru–Si bond length is 2.39 Å. In the twelfth Ru site, Ru is bonded in a 9-coordinate geometry to eight Al and one Si atom. There are a spread of Ru–Al bond distances ranging from 2.58–2.63 Å. The Ru–Si bond length is 2.41 Å. There are fifty-three inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, and one Si atom. The Al–Si bond length is 2.59 Å. In the second Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, one Al, and one Si atom. The Al–Al bond length is 2.75 Å. The Al–Si bond length is 2.58 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, and one Si atom. The Al–Si bond length is 2.58 Å. In the fourth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, four Al, and three Si atoms. There are two shorter (2.75 Å) and two longer (2.90 Å) Al–Al bond lengths. There are a spread of Al–Si bond distances ranging from 2.58–2.77 Å. In the fifth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, two Al, and two Si atoms. Both Al–Al bond lengths are 2.74 Å. There are one shorter (2.58 Å) and one longer (2.91 Å) Al–Si bond lengths. In the sixth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, two Al, and two Si atoms. There are one shorter (2.75 Å) and one longer (2.77 Å) Al–Al bond lengths. There are one shorter (2.60 Å) and one longer (2.86 Å) Al–Si bond lengths. In the seventh Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, two Al, and three Si atoms. Both Al–Al bond lengths are 2.75 Å. There are a spread of Al–Si bond distances ranging from 2.59–2.81 Å. In the eighth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, four Al, and three Si atoms. There are a spread of Al–Al bond distances ranging from 2.76–2.92 Å. There are a spread of Al–Si bond distances ranging from 2.59–2.80 Å. In the ninth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, one Al, and three Si atoms. The Al–Al bond length is 2.77 Å. There are a spread of Al–Si bond distances ranging from 2.60–2.77 Å. In the tenth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, four Al, and three Si atoms. There are a spread of Al–Al bond distances ranging from 2.75–2.90 Å. There are a spread of Al–Si bond distances ranging from 2.59–2.77 Å. In the eleventh Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, two Al, and three Si atoms. Both Al–Al bond lengths are 2.76 Å. There are a spread of Al–Si bond distances ranging from 2.58–2.79 Å. In the twelfth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, two Al, and three Si atoms. There are one shorter (2.73 Å) and one longer (2.74 Å) Al–Al bond lengths. There are a spread of Al–Si bond distances ranging from 2.57–2.88 Å. In the thirteenth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, four Al, and three Si atoms. There are one shorter (2.74 Å) and one longer (2.75 Å) Al–Al bond lengths. There are a spread of Al–Si bond distances ranging from 2.59–2.82 Å. In the fourteenth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, three Al, and three Si atoms. There are one shorter (2.73 Å) and one longer (2.74 Å) Al–Al bond lengths. There are a spread of Al–Si bond distances ranging from 2.58–2.89 Å. In the fifteenth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, two Al, and three Si atoms. Both Al–Al bond lengths are 2.74 Å. There are a spread of Al–Si bond distances ranging from 2.58–2.86 Å. In the sixteenth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, one Al, and two Si atoms. The Al–Al bond length is 2.74 Å. There are one shorter (2.59 Å) and one longer (2.88 Å) Al–Si bond lengths. In the seventeenth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, two Al, and three Si atoms. The Al–Al bond length is 2.73 Å. There are a spread of Al–Si bond distances ranging from 2.58–2.83 Å. In the eighteenth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, one Al, and two Si atoms. The Al–Al bond length is 2.75 Å. There are one shorter (2.59 Å) and one longer (2.88 Å) Al–Si bond lengths. In the nineteenth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, four Al, and three Si atoms. There are one shorter (2.74 Å) and one longer (2.75 Å) Al–Al bond lengths. There are a spread of Al–Si bond distances ranging from 2.59–2.75 Å. In the twentieth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, two Al, and two Si atoms. Both Al–Al bond lengths are 2.75 Å. There are one shorter (2.59 Å) and one longer (2.89 Å) Al–Si bond lengths. In the twenty-first Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, two Al, and two Si atoms. Both Al–Al bond lengths are 2.76 Å. There are one shorter (2.60 Å) and one longer (2.86 Å) Al–Si bond lengths. In the twenty-second Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, and two Si atoms. There are one shorter (2.58 Å) and one longer (2.83 Å) Al–Si bond lengths. In the twenty-third Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, two Al, and one Si atom. Both Al–Al bond lengths are 2.77 Å. The Al–Si bond length is 2.60 Å. In the twenty-fourth Al site, Al is bonded in a 3-coordinate geometry to one Sm, two Ru, and two Si atoms. There are one shorter (2.58 Å) and one longer (2.88 Å) Al–Si bond lengths. In the twenty-fifth Al site, Al is bonded in a 3-coordinate geometry to two Sm, two Ru, three Al, and one Si atom. There are a spread of Al–Al bond distances ranging from 2.61–2.90 Å. The Al–Si bond length is 2.64 Å. In the twenty-sixth Al site, Al is bonded in a 3-coordinate geometry to two Sm, two Ru, two Al, and one Si atom. The Al–Al bond length is 2.91 Å. The Al–Si bond length is 2.64 Å. In the twenty-seventh Al site, Al is bonded in a 3-coordinate geometry to two Sm, two Ru, two Al, and one Si atom. There are one shorter (2.61 Å) and one longer (2.91 Å) Al–Al bond lengths. The Al–Si bond length is 2.66 Å. In the twenty-eighth Al site, Al is bonded in a 3-coordinate geometry to two Sm, two Ru, two Al, and one Si atom. The Al–Al bond length is 2.91 Å. The Al–Si bond length is 2.66 Å. In the twenty-ninth Al site, Al is bonded in a 3-coordinate geometry to two Sm, two Ru, and one Si atom. The Al–Si bond length is 2.65 Å. In the thirtieth Al site, Al is bonded in a 3-coordinate geometry to two Sm, two Ru, five Al, and one Si atom. There are one shorter (2.62 Å) and one longer (2.90 Å) Al–Al bond lengths. The Al–Si bond length is 2.65 Å. In the thirty-first Al site, Al is bonded in a 3-coordinate geometry to two Sm, two Ru, five Al, and one Si atom. Both Al–Al bond lengths are 2.90 Å. The Al–Si bond length is 2.65 Å. In the thirty-second Al site, Al is bonded in a 3-coordinate geometry to two Sm, two Ru, three Al, and one Si atom. There are one shorter (2.61 Å) and one longer (2.92 Å) Al–Al bond lengths. The Al–Si bond length is 2.65 Å. In the thirty-third Al site, Al is bonded in a 3-coordinate geometry to two Sm, two Ru, five Al, and one Si atom. There are one shorter (2.61 Å) and two longer (2.91 Å) Al–Al bond lengths. The Al–Si bond length is 2.66 Å. In the thirty-fourth Al site, Al is bonded in a 3-coordinate geometry to two Sm, two Ru, three Al, and one Si atom. The Al–Al bond length is 2.94 Å. The Al–Si bond length is 2.65 Å. In the thirty-fifth Al site, Al is bonded in a 3-coordinate geometry to two Sm, two Ru, five Al, and one Si atom. The Al–Al bond length is 2.61 Å. The Al–Si bond length is 2.66 Å. In the thirty-sixth Al site, Al is bonded in a 3-coordinate geometry to two Sm, two Ru, five Al, and one Si atom. There are one shorter (2.62 Å) and one longer (2.89 Å) Al–Al bond lengths. The Al–Si bond length is 2.65 Å. In the thirty-seventh Al site, Al is bonded in a 3-coordinate geometry to two Sm, two Ru, five Al, and one Si atom. There are one shorter (2.62 Å) and one longer (2.91 Å) Al–Al bond lengths. The Al–Si bond length is 2.66 Å. In the thirty-eighth Al site, Al is bonded in a 3-coordina
- 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:
- 1667035
- Report Number(s):
- mp-1219273
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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