Materials Data on Sm2CuGe4 by Materials Project

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

DOI:https://doi.org/10.17188/1695359· OSTI ID:1695359

Sm2CuGe4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first 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 3.09–3.26 Å. In the second Sm site, Sm is bonded in a 4-coordinate geometry to four equivalent Cu and ten Ge atoms. All Sm–Cu bond lengths are 3.19 Å. There are a spread of Sm–Ge bond distances ranging from 3.12–3.35 Å. Cu is bonded in a 9-coordinate geometry to four equivalent Sm and five Ge atoms. There are a spread of Cu–Ge bond distances ranging from 2.38–2.48 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six Sm, one Cu, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Sm and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four Sm, two equivalent Cu, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.92 Å. In the fourth Ge site, Ge is bonded in a 4-coordinate geometry to four Sm, two equivalent Cu, and four equivalent Ge 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: 1695359
• Report Number(s): mp-1219161
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-Ge-Sm
Sm2CuGe4
crystal structure