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Title: 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.

Publication Date:
Other Number(s):
mp-1227483
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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}
}