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Materials Data on VCr3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1701039· OSTI ID:1701039
VCr3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a distorted body-centered cubic geometry to fourteen Cr atoms. There are eight shorter (2.49 Å) and six longer (2.88 Å) V–Cr bond lengths. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a distorted body-centered cubic geometry to four equivalent V and four equivalent Cr atoms. All Cr–Cr bond lengths are 2.49 Å. In the second Cr site, Cr is bonded in a distorted body-centered cubic geometry to six equivalent V and eight equivalent Cr 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:
1701039
Report Number(s):
mp-1187696
Country of Publication:
United States
Language:
English

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