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Materials Data on Sb3Mo by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314047· OSTI ID:1314047
MoSb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mo3+ is bonded in a body-centered cubic geometry to fourteen Sb1- atoms. There are eight shorter (3.07 Å) and six longer (3.55 Å) Mo–Sb bond lengths. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a body-centered cubic geometry to four equivalent Mo3+ and four equivalent Sb1- atoms. All Sb–Sb bond lengths are 3.07 Å. In the second Sb1- site, Sb1- is bonded in a distorted body-centered cubic geometry to six equivalent Mo3+ and eight equivalent Sb1- 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:
1314047
Report Number(s):
mp-973203
Country of Publication:
United States
Language:
English

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