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Title: Materials Data on V(CO3)2 by Materials Project

Abstract

V(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. V4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.89–1.99 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.27 Å) and one longer (1.32 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V4+ and one C4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V4+ and one C4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-763508
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; V(CO3)2; C-O-V
OSTI Identifier:
1293588
DOI:
10.17188/1293588

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on V(CO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1293588.
Persson, Kristin, & Project, Materials. Materials Data on V(CO3)2 by Materials Project. United States. doi:10.17188/1293588.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on V(CO3)2 by Materials Project". United States. doi:10.17188/1293588. https://www.osti.gov/servlets/purl/1293588. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1293588,
title = {Materials Data on V(CO3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {V(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. V4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.89–1.99 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.27 Å) and one longer (1.32 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V4+ and one C4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V4+ and one C4+ atom.},
doi = {10.17188/1293588},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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