U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoCu2(SO4)2 by Materials Project
Abstract
CoCu2(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 1.75–2.11 Å. Cu1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.92–2.52 Å. S6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.50–1.54 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Co2+ and two equivalent Cu1+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu1+ and one S6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Co2+, one Cu1+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Co2+, one Cu1+, and one S6+ atom.
- Publication Date:
- Other Number(s):
- mp-1213980
- 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; Co-Cu-O-S; CoCu2(SO4)2; crystal structure
- OSTI Identifier:
- 1699922
- DOI:
- https://doi.org/10.17188/1699922
Citation Formats
Materials Data on CoCu2(SO4)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1699922.
Materials Data on CoCu2(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1699922
2019.
"Materials Data on CoCu2(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1699922. https://www.osti.gov/servlets/purl/1699922. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1699922,
title = {Materials Data on CoCu2(SO4)2 by Materials Project},
abstractNote = {CoCu2(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Co–O bond distances ranging from 1.75–2.11 Å. Cu1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.92–2.52 Å. S6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.50–1.54 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Co2+ and two equivalent Cu1+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu1+ and one S6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Co2+, one Cu1+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Co2+, one Cu1+, and one S6+ atom.},
doi = {10.17188/1699922},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}