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Title: Materials Data on VC4N2O11 by Materials Project

Abstract

(VC3O8)2(N2)2(CO2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four carbon dioxide molecules, four water molecules, and four VC3O8 clusters. In each VC3O8 cluster, V4+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.40 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.16 Å) and one longer (1.18 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.16 Å) and one longer (1.19 Å) C–O bond length. In the third C4+ site, C4+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V4+ and one C4+ atom. In the third O2-more » site, O2- is bonded in a distorted bent 150 degrees geometry to one V4+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V4+ and one C4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one V4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1202513
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; VC4N2O11; C-N-O-V
OSTI Identifier:
1715242
DOI:
https://doi.org/10.17188/1715242

Citation Formats

The Materials Project. Materials Data on VC4N2O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1715242.
The Materials Project. Materials Data on VC4N2O11 by Materials Project. United States. doi:https://doi.org/10.17188/1715242
The Materials Project. 2020. "Materials Data on VC4N2O11 by Materials Project". United States. doi:https://doi.org/10.17188/1715242. https://www.osti.gov/servlets/purl/1715242. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1715242,
title = {Materials Data on VC4N2O11 by Materials Project},
author = {The Materials Project},
abstractNote = {(VC3O8)2(N2)2(CO2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four carbon dioxide molecules, four water molecules, and four VC3O8 clusters. In each VC3O8 cluster, V4+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.40 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.16 Å) and one longer (1.18 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.16 Å) and one longer (1.19 Å) C–O bond length. In the third C4+ site, C4+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.17 Å) and one longer (1.18 Å) C–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the second O2- site, O2- is bonded in a distorted 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. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V4+ and one C4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one V4+ atom.},
doi = {10.17188/1715242},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}