U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoH8Se2(ClO4)2 by Materials Project
Abstract
CoH8Se2(O4Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two CoH8Se2(O4Cl)2 clusters. Co2+ is bonded in an octahedral geometry to four O2- and two equivalent Cl1- atoms. There are two shorter (2.11 Å) and two longer (2.13 Å) Co–O bond lengths. Both Co–Cl bond lengths are 2.44 Å. There are four 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 1.00 Å. In the second 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 third 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 fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and onemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1204801
- 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; CoH8Se2(ClO4)2; Cl-Co-H-O-Se
- OSTI Identifier:
- 1677296
- DOI:
- https://doi.org/10.17188/1677296
Citation Formats
The Materials Project. Materials Data on CoH8Se2(ClO4)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1677296.
The Materials Project. Materials Data on CoH8Se2(ClO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1677296
The Materials Project. 2019.
"Materials Data on CoH8Se2(ClO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1677296. https://www.osti.gov/servlets/purl/1677296. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1677296,
title = {Materials Data on CoH8Se2(ClO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoH8Se2(O4Cl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two CoH8Se2(O4Cl)2 clusters. Co2+ is bonded in an octahedral geometry to four O2- and two equivalent Cl1- atoms. There are two shorter (2.11 Å) and two longer (2.13 Å) Co–O bond lengths. Both Co–Cl bond lengths are 2.44 Å. There are four 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 1.00 Å. In the second 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 third 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 fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–1.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one Se4+ atom. 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 distorted single-bond geometry to one H1+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Co2+ and one Se4+ atom. Cl1- is bonded in a single-bond geometry to one Co2+ atom.},
doi = {10.17188/1677296},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}