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Title: Materials Data on V4CoH12C2(N3O10)2 by Materials Project

Abstract

V2CoO8(VO3)2(CN3H6)2(O2)3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two guanidinium molecules; two trioxidane molecules; one VO3 ribbon oriented in the (1, 0, 0) direction; and one V2CoO8 sheet oriented in the (0, 0, 1) direction. In the VO3 ribbon, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent V5+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ atom. In the V2CoO8 sheet, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.63–1.98 Å. Co2+ is bonded to six O2- atoms to form distorted edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.83–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+more » and one Co2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V5+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Co2+ and one O2- atom. The O–O bond length is 1.42 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom.« less

Publication Date:
Other Number(s):
mp-1217511
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; V4CoH12C2(N3O10)2; C-Co-H-N-O-V
OSTI Identifier:
1685475
DOI:
https://doi.org/10.17188/1685475

Citation Formats

The Materials Project. Materials Data on V4CoH12C2(N3O10)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685475.
The Materials Project. Materials Data on V4CoH12C2(N3O10)2 by Materials Project. United States. doi:https://doi.org/10.17188/1685475
The Materials Project. 2019. "Materials Data on V4CoH12C2(N3O10)2 by Materials Project". United States. doi:https://doi.org/10.17188/1685475. https://www.osti.gov/servlets/purl/1685475. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1685475,
title = {Materials Data on V4CoH12C2(N3O10)2 by Materials Project},
author = {The Materials Project},
abstractNote = {V2CoO8(VO3)2(CN3H6)2(O2)3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two guanidinium molecules; two trioxidane molecules; one VO3 ribbon oriented in the (1, 0, 0) direction; and one V2CoO8 sheet oriented in the (0, 0, 1) direction. In the VO3 ribbon, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent V5+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ atom. In the V2CoO8 sheet, V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.63–1.98 Å. Co2+ is bonded to six O2- atoms to form distorted edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.83–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Co2+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V5+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Co2+ and one O2- atom. The O–O bond length is 1.42 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom.},
doi = {10.17188/1685475},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}