Materials Data on Sr36Al9Sn23 by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1718852· OSTI ID:1718852

Sr36Al9Sn23 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are fourteen inequivalent Sr sites. In the first Sr site, Sr is bonded in a 8-coordinate geometry to three Al and five Sn atoms. There are two shorter (3.40 Å) and one longer (3.79 Å) Sr–Al bond lengths. There are a spread of Sr–Sn bond distances ranging from 3.46–3.91 Å. In the second Sr site, Sr is bonded in a 7-coordinate geometry to two equivalent Al and six Sn atoms. Both Sr–Al bond lengths are 3.39 Å. There are a spread of Sr–Sn bond distances ranging from 3.46–3.91 Å. In the third Sr site, Sr is bonded in a 8-coordinate geometry to two equivalent Al and six Sn atoms. Both Sr–Al bond lengths are 3.41 Å. There are a spread of Sr–Sn bond distances ranging from 3.46–3.90 Å. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to three Al and five Sn atoms. There are two shorter (3.35 Å) and one longer (3.86 Å) Sr–Al bond lengths. There are a spread of Sr–Sn bond distances ranging from 3.46–3.69 Å. In the fifth Sr site, Sr is bonded in a 5-coordinate geometry to one Al and five Sn atoms. The Sr–Al bond length is 3.83 Å. There are a spread of Sr–Sn bond distances ranging from 3.48–3.69 Å. In the sixth Sr site, Sr is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Sr–Sn bond distances ranging from 3.49–3.79 Å. In the seventh Sr site, Sr is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Sr–Sn bond distances ranging from 3.48–3.80 Å. In the eighth Sr site, Sr is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Sr–Sn bond distances ranging from 3.48–3.80 Å. In the ninth Sr site, Sr is bonded in a 6-coordinate geometry to two equivalent Al and four Sn atoms. Both Sr–Al bond lengths are 3.35 Å. There are a spread of Sr–Sn bond distances ranging from 3.41–3.52 Å. In the tenth Sr site, Sr is bonded in a 6-coordinate geometry to two Al and four Sn atoms. Both Sr–Al bond lengths are 3.36 Å. There are two shorter (3.41 Å) and two longer (3.53 Å) Sr–Sn bond lengths. In the eleventh Sr site, Sr is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Sr–Sn bond distances ranging from 3.50–3.75 Å. In the twelfth Sr site, Sr is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Sr–Sn bond distances ranging from 3.50–3.74 Å. In the thirteenth Sr site, Sr is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Sr–Sn bond distances ranging from 3.51–3.74 Å. In the fourteenth Sr site, Sr is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Sr–Sn bond distances ranging from 3.50–3.74 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 1-coordinate geometry to three Sr, one Al, and two Sn atoms. The Al–Al bond length is 2.94 Å. There are one shorter (2.71 Å) and one longer (3.17 Å) Al–Sn bond lengths. In the second Al site, Al is bonded in a 1-coordinate geometry to three Sr, two Al, and three Sn atoms. There are one shorter (2.61 Å) and one longer (2.64 Å) Al–Al bond lengths. There are one shorter (2.71 Å) and two longer (3.12 Å) Al–Sn bond lengths. In the third Al site, Al is bonded in a 1-coordinate geometry to three Sr, two Al, and three Sn atoms. The Al–Al bond length is 2.63 Å. There are one shorter (2.71 Å) and two longer (3.12 Å) Al–Sn bond lengths. In the fourth Al site, Al is bonded in a 12-coordinate geometry to eight Sr and four equivalent Al atoms. There are ten inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to nine Sr and one Al atom. In the second Sn site, Sn is bonded in a 10-coordinate geometry to nine Sr and one Al atom. In the third Sn site, Sn is bonded in a 10-coordinate geometry to nine Sr and one Al atom. In the fourth Sn site, Sn is bonded in a 10-coordinate geometry to eight Sr and two Sn atoms. There are one shorter (3.11 Å) and one longer (3.16 Å) Sn–Sn bond lengths. In the fifth Sn site, Sn is bonded in a 10-coordinate geometry to eight Sr and two Sn atoms. The Sn–Sn bond length is 3.14 Å. In the sixth Sn site, Sn is bonded in a 10-coordinate geometry to ten Sr atoms. In the seventh Sn site, Sn is bonded in a 10-coordinate geometry to ten Sr atoms. In the eighth Sn site, Sn is bonded in a 10-coordinate geometry to ten Sr atoms. In the ninth Sn site, Sn is bonded in a 12-coordinate geometry to eight Sr and four equivalent Al atoms. In the tenth Sn site, Sn is bonded in a 12-coordinate geometry to eight Sr and four Al atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1718852
• Report Number(s): mp-1218703
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Sn-Sr
Sr36Al9Sn23
crystal structure