Materials Data on Li2Eu5Sn7 by Materials Project

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

DOI:https://doi.org/10.17188/1741988· OSTI ID:1741988

Li2Eu5Sn7 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 5-coordinate geometry to one Eu and five Sn atoms. The Li–Eu bond length is 3.50 Å. There are a spread of Li–Sn bond distances ranging from 2.90–3.19 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to two Eu and five Sn atoms. There are one shorter (3.42 Å) and one longer (3.63 Å) Li–Eu bond lengths. There are a spread of Li–Sn bond distances ranging from 2.84–3.32 Å. There are five inequivalent Eu sites. In the first Eu site, Eu is bonded in a 10-coordinate geometry to one Li and nine Sn atoms. There are a spread of Eu–Sn bond distances ranging from 3.38–3.62 Å. In the second Eu site, Eu is bonded in a 7-coordinate geometry to one Li and eight Sn atoms. There are a spread of Eu–Sn bond distances ranging from 3.26–3.64 Å. In the third Eu site, Eu is bonded in a 7-coordinate geometry to one Li and eight Sn atoms. There are a spread of Eu–Sn bond distances ranging from 3.31–3.68 Å. In the fourth Eu site, Eu is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Eu–Sn bond distances ranging from 3.26–3.43 Å. In the fifth Eu site, Eu is bonded in a 7-coordinate geometry to eight Sn atoms. There are a spread of Eu–Sn bond distances ranging from 3.26–3.88 Å. There are seven inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to one Li, six Eu, and three Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.01–3.31 Å. In the second Sn site, Sn is bonded in a 1-coordinate geometry to one Li, six Eu, and two Sn atoms. There are one shorter (2.98 Å) and one longer (3.08 Å) Sn–Sn bond lengths. In the third Sn site, Sn is bonded in a 2-coordinate geometry to three Li, five Eu, and two Sn atoms. There are one shorter (2.96 Å) and one longer (2.98 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 9-coordinate geometry to three Li, five Eu, and one Sn atom. In the fifth Sn site, Sn is bonded in a 9-coordinate geometry to six Eu and three Sn atoms. The Sn–Sn bond length is 3.01 Å. In the sixth Sn site, Sn is bonded in a 10-coordinate geometry to one Li, six Eu, and three Sn atoms. In the seventh Sn site, Sn is bonded in a 1-coordinate geometry to one Li, six Eu, and two Sn 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: 1741988
• Report Number(s): mp-1212398
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Eu-Li-Sn
Li2Eu5Sn7
crystal structure