Materials Data on Sm4Ni3Ge8 by Materials Project

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

DOI:https://doi.org/10.17188/1705414· OSTI ID:1705414

Sm4Ni3Ge8 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Sm–Ni bond lengths are 3.24 Å. There are a spread of Sm–Ge bond distances ranging from 3.10–3.29 Å. In the second Sm site, Sm is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Sm–Ni bond lengths are 3.21 Å. There are a spread of Sm–Ge bond distances ranging from 3.12–3.33 Å. In the third Sm site, Sm is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Sm–Ge bond distances ranging from 3.07–3.26 Å. In the fourth Sm site, Sm is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Sm–Ni bond lengths are 3.20 Å. There are a spread of Sm–Ge bond distances ranging from 3.13–3.27 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Sm and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.31–2.39 Å. In the second Ni site, Ni is bonded in a 5-coordinate geometry to four equivalent Sm and five Ge atoms. There are one shorter (2.33 Å) and four longer (2.38 Å) Ni–Ge bond lengths. In the third Ni site, Ni is bonded in a 5-coordinate geometry to four equivalent Sm and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.32–2.38 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to six Sm and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.59 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six Sm, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Sm, one Ni, and two equivalent Ge atoms. In the fourth Ge site, Ge is bonded in a 1-coordinate geometry to six Sm, one Ni, and two equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 4-coordinate geometry to four Sm, two equivalent Ni, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.94 Å. In the sixth Ge site, Ge is bonded in a 4-coordinate geometry to four Sm and four Ni atoms. In the seventh Ge site, Ge is bonded in a 10-coordinate geometry to four Sm, two equivalent Ni, and four equivalent Ge atoms. In the eighth Ge site, Ge is bonded in a 4-coordinate geometry to four Sm and four Ni 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: 1705414
• Report Number(s): mp-1219214
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Ni-Sm
Sm4Ni3Ge8
crystal structure