U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoH22N7(ClO2)4 by Materials Project
Abstract
Co(NH3)6NH4(O4Cl)2Cl2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one azane;cobalt molecule; two hydrochloric acid molecules; and one NH4(O4Cl)2 ribbon oriented in the (1, 0, 0) direction. In the NH4(O4Cl)2 ribbon, N+0.71- is bonded in a square co-planar geometry to four H1+ atoms. There is two shorter (1.06 Å) and two longer (1.08 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one N+0.71- and one O2- atom. The H–O bond length is 1.67 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+0.71- and one O2- atom. The H–O bond length is 1.75 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Cl1- atom. The O–Cl bond length is 1.48 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Cl1- atom.more »
- Publication Date:
- Other Number(s):
- mp-42392
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cl-Co-H-N-O; CoH22N7(ClO2)4; crystal structure
- OSTI Identifier:
- 1207990
- DOI:
- https://doi.org/10.17188/1207990
Citation Formats
Materials Data on CoH22N7(ClO2)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207990.
Materials Data on CoH22N7(ClO2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1207990
2020.
"Materials Data on CoH22N7(ClO2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1207990. https://www.osti.gov/servlets/purl/1207990. Pub date:Wed Apr 29 20:00:00 EDT 2020
@article{osti_1207990,
title = {Materials Data on CoH22N7(ClO2)4 by Materials Project},
abstractNote = {Co(NH3)6NH4(O4Cl)2Cl2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one azane;cobalt molecule; two hydrochloric acid molecules; and one NH4(O4Cl)2 ribbon oriented in the (1, 0, 0) direction. In the NH4(O4Cl)2 ribbon, N+0.71- is bonded in a square co-planar geometry to four H1+ atoms. There is two shorter (1.06 Å) and two longer (1.08 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one N+0.71- and one O2- atom. The H–O bond length is 1.67 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+0.71- and one O2- atom. The H–O bond length is 1.75 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one Cl1- atom. The O–Cl bond length is 1.48 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Cl1- atom. The O–Cl bond length is 1.48 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.},
doi = {10.17188/1207990},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}