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Title: Materials Data on Sm4Mg3Co2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1276348· OSTI ID:1276348

Mg3Sm4Co2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 10-coordinate geometry to one Mg, eight Sm, and one Co atom. The Mg–Mg bond length is 3.15 Å. There are a spread of Mg–Sm bond distances ranging from 3.33–3.56 Å. The Mg–Co bond length is 3.12 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to eight Sm and two equivalent Co atoms. There are four shorter (3.23 Å) and four longer (3.44 Å) Mg–Sm bond lengths. Both Mg–Co bond lengths are 3.07 Å. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to six Mg and four equivalent Co atoms. There are two shorter (2.90 Å) and two longer (2.97 Å) Sm–Co bond lengths. In the second Sm site, Sm is bonded in a distorted L-shaped geometry to six Mg and two equivalent Co atoms. Both Sm–Co bond lengths are 2.73 Å. Co is bonded in a 9-coordinate geometry to two Mg, six Sm, and one Co atom. The Co–Co bond length is 2.33 Å.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1276348
Report Number(s):
mp-571606
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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