U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ni(CO3)2 by Materials Project
Abstract
Ni(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four Ni(CO3)2 ribbons oriented in the (0, 1, 0) direction. Ni4+ is bonded in an octahedral geometry to six O2- atoms. There is two shorter (1.76 Å) and four longer (2.03 Å) Ni–O bond length. C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Ni4+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Ni4+ and one C4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Ni4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1105782
- 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; Ni(CO3)2; C-Ni-O
- OSTI Identifier:
- 1720703
- DOI:
- https://doi.org/10.17188/1720703
Citation Formats
The Materials Project. Materials Data on Ni(CO3)2 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1720703.
The Materials Project. Materials Data on Ni(CO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1720703
The Materials Project. 2018.
"Materials Data on Ni(CO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1720703. https://www.osti.gov/servlets/purl/1720703. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1720703,
title = {Materials Data on Ni(CO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni(CO3)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four Ni(CO3)2 ribbons oriented in the (0, 1, 0) direction. Ni4+ is bonded in an octahedral geometry to six O2- atoms. There is two shorter (1.76 Å) and four longer (2.03 Å) Ni–O bond length. C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Ni4+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Ni4+ and one C4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Ni4+ atom.},
doi = {10.17188/1720703},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 19 00:00:00 EDT 2018},
month = {Thu Jul 19 00:00:00 EDT 2018}
}
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