Materials Data on Mg2CoSbO6 by Materials Project
Abstract
Mg2CoSbO6 crystallizes in the monoclinic P2_1/m 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 2.07–2.68 Å. In the second Mg2+ site, Mg2+ is bonded in a distorted rectangular see-saw-like geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.02–2.66 Å. Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent CoO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–44°. There are a spread of Co–O bond distances ranging from 2.01–2.06 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 43–48°. There are a spread of Sb–O bond distances ranging from 1.97–2.06 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+, one Co3+, and one Sb5+ atom. In the second O2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-15619
- 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; Mg2CoSbO6; Co-Mg-O-Sb
- OSTI Identifier:
- 1319512
- DOI:
- https://doi.org/10.17188/1319512
Citation Formats
The Materials Project. Materials Data on Mg2CoSbO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1319512.
The Materials Project. Materials Data on Mg2CoSbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1319512
The Materials Project. 2020.
"Materials Data on Mg2CoSbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1319512. https://www.osti.gov/servlets/purl/1319512. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1319512,
title = {Materials Data on Mg2CoSbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2CoSbO6 crystallizes in the monoclinic P2_1/m 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 2.07–2.68 Å. In the second Mg2+ site, Mg2+ is bonded in a distorted rectangular see-saw-like geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.02–2.66 Å. Co3+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent CoO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–44°. There are a spread of Co–O bond distances ranging from 2.01–2.06 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 43–48°. There are a spread of Sb–O bond distances ranging from 1.97–2.06 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+, one Co3+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Mg2+, one Co3+, and one Sb5+ atom. In the third O2- site, O2- is bonded to two Mg2+ and two equivalent Sb5+ atoms to form distorted OMg2Sb2 tetrahedra that share corners with two equivalent OMg2Sb2 tetrahedra and corners with two equivalent OMg2Co2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two Mg2+ and two equivalent Co3+ atoms to form distorted OMg2Co2 trigonal pyramids that share corners with two equivalent OMg2Sb2 tetrahedra and corners with two equivalent OMg2Co2 trigonal pyramids.},
doi = {10.17188/1319512},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}