U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoH8(ClO2)2 by Materials Project
Abstract
(Co(H3O2)2)2H2(HCl)2Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four hydrochloric acid molecules; four hydrochloric acid molecules; two hydrogen molecules; and two Co(H3O2)2 ribbons oriented in the (0, 1, 0) direction. In each Co(H3O2)2 ribbon, Co2+ is bonded in a distorted trigonal pyramidal geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.67–2.05 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.52 Å) H–O bond length. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-746691
- 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; CoH8(ClO2)2; Cl-Co-H-O
- OSTI Identifier:
- 1288458
- DOI:
- https://doi.org/10.17188/1288458
Citation Formats
The Materials Project. Materials Data on CoH8(ClO2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288458.
The Materials Project. Materials Data on CoH8(ClO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1288458
The Materials Project. 2020.
"Materials Data on CoH8(ClO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1288458. https://www.osti.gov/servlets/purl/1288458. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1288458,
title = {Materials Data on CoH8(ClO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(Co(H3O2)2)2H2(HCl)2Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four hydrochloric acid molecules; four hydrochloric acid molecules; two hydrogen molecules; and two Co(H3O2)2 ribbons oriented in the (0, 1, 0) direction. In each Co(H3O2)2 ribbon, Co2+ is bonded in a distorted trigonal pyramidal geometry to four O2- atoms. There are a spread of Co–O bond distances ranging from 1.67–2.05 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.52 Å) H–O bond length. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Co2+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Co2+ and two H1+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Co2+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to one Co2+ and two H1+ atoms.},
doi = {10.17188/1288458},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}