U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg3Co2O7 by Materials Project
Abstract
Mg3Co2O7 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.64 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.00–2.30 Å. Co4+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra tilt angles range from 39–43°. There are a spread of Co–O bond distances ranging from 1.86–1.92 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mg2+ and one Co4+ atom to form distorted OMg3Co tetrahedra that share corners with six equivalent OMg3Co tetrahedra and a cornercorner with one OMg2Co2 trigonal pyramid. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Mg2+ and two equivalent Co4+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Mg2+ and two equivalent Co4+ atoms. In the fourth O2- site, O2- is bonded to two equivalentmore »
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1320627
- Report Number(s):
- mvc-3604
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Mg3Co2O7; Co-Mg-O
Citation Formats
The Materials Project. Materials Data on Mg3Co2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320627.
The Materials Project. Materials Data on Mg3Co2O7 by Materials Project. United States. https://doi.org/10.17188/1320627
The Materials Project. 2020.
"Materials Data on Mg3Co2O7 by Materials Project". United States. https://doi.org/10.17188/1320627. https://www.osti.gov/servlets/purl/1320627.
@article{osti_1320627,
title = {Materials Data on Mg3Co2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Co2O7 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.64 Å. In the second Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.00–2.30 Å. Co4+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedra tilt angles range from 39–43°. There are a spread of Co–O bond distances ranging from 1.86–1.92 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mg2+ and one Co4+ atom to form distorted OMg3Co tetrahedra that share corners with six equivalent OMg3Co tetrahedra and a cornercorner with one OMg2Co2 trigonal pyramid. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Mg2+ and two equivalent Co4+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three Mg2+ and two equivalent Co4+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Co4+ atoms to form distorted OMg2Co2 trigonal pyramids that share corners with two equivalent OMg3Co tetrahedra and corners with two equivalent OMg2Co2 trigonal pyramids.},
doi = {10.17188/1320627},
url = {https://www.osti.gov/biblio/1320627},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}