DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on V7C2(NO8)2 by Materials Project

Abstract

V7O16(CN)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of four hydrogen cyanide molecules and two V7O16 sheets oriented in the (0, 0, 1) direction. In each V7O16 sheet, there are seven inequivalent V+4.29+ sites. In the first V+4.29+ site, V+4.29+ is bonded in a 1-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.61–2.47 Å. In the second V+4.29+ site, V+4.29+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.59–2.02 Å. In the third V+4.29+ site, V+4.29+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.59–2.01 Å. In the fourth V+4.29+ site, V+4.29+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.01 Å. In the fifth V+4.29+ site, V+4.29+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.83 Å) and three longer (1.84 Å) V–O bond length. In the sixth V+4.29+ site, V+4.29+ is bonded in a 5-coordinate geometry to five O2- atoms. There aremore » a spread of V–O bond distances ranging from 1.60–2.02 Å. In the seventh V+4.29+ site, V+4.29+ is bonded in a 1-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.61–2.49 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three V+4.29+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.29+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three V+4.29+ atoms. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.29+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.29+ atoms. In the sixth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.29+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one V+4.29+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one V+4.29+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.29+ atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.29+ atoms. In the eleventh O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.29+ atoms. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one V+4.29+ atom. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.29+ atoms. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one V+4.29+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one V+4.29+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one V+4.29+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1202853
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; V7C2(NO8)2; C-N-O-V
OSTI Identifier:
1680739
DOI:
https://doi.org/10.17188/1680739

Citation Formats

The Materials Project. Materials Data on V7C2(NO8)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680739.
The Materials Project. Materials Data on V7C2(NO8)2 by Materials Project. United States. doi:https://doi.org/10.17188/1680739
The Materials Project. 2019. "Materials Data on V7C2(NO8)2 by Materials Project". United States. doi:https://doi.org/10.17188/1680739. https://www.osti.gov/servlets/purl/1680739. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1680739,
title = {Materials Data on V7C2(NO8)2 by Materials Project},
author = {The Materials Project},
abstractNote = {V7O16(CN)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of four hydrogen cyanide molecules and two V7O16 sheets oriented in the (0, 0, 1) direction. In each V7O16 sheet, there are seven inequivalent V+4.29+ sites. In the first V+4.29+ site, V+4.29+ is bonded in a 1-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.61–2.47 Å. In the second V+4.29+ site, V+4.29+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.59–2.02 Å. In the third V+4.29+ site, V+4.29+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.59–2.01 Å. In the fourth V+4.29+ site, V+4.29+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.01 Å. In the fifth V+4.29+ site, V+4.29+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.83 Å) and three longer (1.84 Å) V–O bond length. In the sixth V+4.29+ site, V+4.29+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.60–2.02 Å. In the seventh V+4.29+ site, V+4.29+ is bonded in a 1-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.61–2.49 Å. There are sixteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three V+4.29+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.29+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three V+4.29+ atoms. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.29+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.29+ atoms. In the sixth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.29+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one V+4.29+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one V+4.29+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.29+ atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.29+ atoms. In the eleventh O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.29+ atoms. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one V+4.29+ atom. In the thirteenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.29+ atoms. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one V+4.29+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one V+4.29+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one V+4.29+ atom.},
doi = {10.17188/1680739},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}