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Materials Data on VOsCl by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1279150· OSTI ID:1279150
VOsCl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. V3+ is bonded in a body-centered cubic geometry to four equivalent Os2- and four equivalent Cl1- atoms. All V–Os bond lengths are 2.53 Å. All V–Cl bond lengths are 2.53 Å. Os2- is bonded in a 10-coordinate geometry to four equivalent V3+ and six equivalent Cl1- atoms. All Os–Cl bond lengths are 2.92 Å. Cl1- is bonded to four equivalent V3+ and six equivalent Os2- atoms to form a mixture of distorted corner and face-sharing ClV4Os6 tetrahedra.
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:
1279150
Report Number(s):
mp-631436
Country of Publication:
United States
Language:
English

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