Materials Data on Sr4GaSn3 by Materials Project

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

DOI:https://doi.org/10.17188/1691072· OSTI ID:1691072

Sr4GaSn3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Sr sites. In the first Sr site, Sr is bonded in a 7-coordinate geometry to one Ga and six Sn atoms. The Sr–Ga bond length is 3.47 Å. There are four shorter (3.47 Å) and two longer (3.62 Å) Sr–Sn bond lengths. In the second Sr site, Sr is bonded in a 7-coordinate geometry to two equivalent Ga and five Sn atoms. Both Sr–Ga bond lengths are 3.55 Å. All Sr–Sn bond lengths are 3.48 Å. In the third Sr site, Sr is bonded in a 7-coordinate geometry to four equivalent Ga and three Sn atoms. All Sr–Ga bond lengths are 3.47 Å. There are one shorter (3.48 Å) and two longer (3.53 Å) Sr–Sn bond lengths. In the fourth Sr site, Sr is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Sr–Sn bond distances ranging from 3.47–3.61 Å. Ga is bonded in a 9-coordinate geometry to seven Sr and two equivalent Sn atoms. Both Ga–Sn bond lengths are 2.90 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to seven Sr and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.97 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to seven Sr and two equivalent Sn atoms. In the third Sn site, Sn is bonded in a 9-coordinate geometry to seven Sr and two equivalent Ga 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: 1691072
• Report Number(s): mp-1218328
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ga-Sn-Sr
Sr4GaSn3
crystal structure