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Title: Materials Data on V9Cr3B8 by Materials Project

Abstract

V9Cr3B8 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are five inequivalent V2+ sites. In the first V2+ site, V2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.26 Å) and two longer (2.28 Å) V–B bond lengths. In the second V2+ site, V2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are two shorter (2.25 Å) and four longer (2.26 Å) V–B bond lengths. In the third V2+ site, V2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.26 Å) and two longer (2.28 Å) V–B bond lengths. In the fourth V2+ site, V2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are a spread of V–B bond distances ranging from 2.25–2.27 Å. In the fifth V2+ site, V2+ is bonded in a square co-planar geometry to four B3- atoms. There are two shorter (2.29 Å) and two longer (2.31 Å) V–B bond lengths. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a square co-planar geometry to four B3- atoms. There aremore » two shorter (2.28 Å) and two longer (2.29 Å) Cr–B bond lengths. In the second Cr2+ site, Cr2+ is bonded in a rectangular see-saw-like geometry to four B3- atoms. There are two shorter (2.28 Å) and two longer (2.29 Å) Cr–B bond lengths. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to seven V2+, one Cr2+, and one B3- atom. The B–B bond length is 1.80 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six V2+, two Cr2+, and one B3- atom. In the third B3- site, B3- is bonded in a 9-coordinate geometry to seven V2+, one Cr2+, and one B3- atom. The B–B bond length is 1.80 Å. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to six V2+, two Cr2+, and one B3- atom. The B–B bond length is 1.80 Å.« less

Publication Date:
Other Number(s):
mp-1216445
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; V9Cr3B8; B-Cr-V
OSTI Identifier:
1710028
DOI:
https://doi.org/10.17188/1710028

Citation Formats

The Materials Project. Materials Data on V9Cr3B8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710028.
The Materials Project. Materials Data on V9Cr3B8 by Materials Project. United States. doi:https://doi.org/10.17188/1710028
The Materials Project. 2020. "Materials Data on V9Cr3B8 by Materials Project". United States. doi:https://doi.org/10.17188/1710028. https://www.osti.gov/servlets/purl/1710028. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1710028,
title = {Materials Data on V9Cr3B8 by Materials Project},
author = {The Materials Project},
abstractNote = {V9Cr3B8 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are five inequivalent V2+ sites. In the first V2+ site, V2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.26 Å) and two longer (2.28 Å) V–B bond lengths. In the second V2+ site, V2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are two shorter (2.25 Å) and four longer (2.26 Å) V–B bond lengths. In the third V2+ site, V2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.26 Å) and two longer (2.28 Å) V–B bond lengths. In the fourth V2+ site, V2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are a spread of V–B bond distances ranging from 2.25–2.27 Å. In the fifth V2+ site, V2+ is bonded in a square co-planar geometry to four B3- atoms. There are two shorter (2.29 Å) and two longer (2.31 Å) V–B bond lengths. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a square co-planar geometry to four B3- atoms. There are two shorter (2.28 Å) and two longer (2.29 Å) Cr–B bond lengths. In the second Cr2+ site, Cr2+ is bonded in a rectangular see-saw-like geometry to four B3- atoms. There are two shorter (2.28 Å) and two longer (2.29 Å) Cr–B bond lengths. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to seven V2+, one Cr2+, and one B3- atom. The B–B bond length is 1.80 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six V2+, two Cr2+, and one B3- atom. In the third B3- site, B3- is bonded in a 9-coordinate geometry to seven V2+, one Cr2+, and one B3- atom. The B–B bond length is 1.80 Å. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to six V2+, two Cr2+, and one B3- atom. The B–B bond length is 1.80 Å.},
doi = {10.17188/1710028},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}