U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca2MnSbO6 by Materials Project
Abstract
Ca2MnSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.73 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 29–33°. There are a spread of Mn–O bond distances ranging from 1.95–2.15 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 29–33°. There are a spread of Sb–O bond distances ranging from 1.98–2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Mn3+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Mn3+, and one Sb5+ atom. In the third O2- site, O2- is bonded to two equivalent Ca2+, one Mn3+, and one Sb5+ atom to form distorted corner-sharing OCa2MnSb tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1227483
- 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; Ca2MnSbO6; Ca-Mn-O-Sb
- OSTI Identifier:
- 1751197
- DOI:
- https://doi.org/10.17188/1751197
Citation Formats
The Materials Project. Materials Data on Ca2MnSbO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1751197.
The Materials Project. Materials Data on Ca2MnSbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1751197
The Materials Project. 2020.
"Materials Data on Ca2MnSbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1751197. https://www.osti.gov/servlets/purl/1751197. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1751197,
title = {Materials Data on Ca2MnSbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca2MnSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.73 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 29–33°. There are a spread of Mn–O bond distances ranging from 1.95–2.15 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 29–33°. There are a spread of Sb–O bond distances ranging from 1.98–2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Mn3+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Mn3+, and one Sb5+ atom. In the third O2- site, O2- is bonded to two equivalent Ca2+, one Mn3+, and one Sb5+ atom to form distorted corner-sharing OCa2MnSb tetrahedra.},
doi = {10.17188/1751197},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}