U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MgSbO3 by Materials Project
Abstract
MgSbO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four O atoms to form distorted MgO4 tetrahedra that share corners with eight SbO6 octahedra and corners with two equivalent MgO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 64–81°. There are a spread of Mg–O bond distances ranging from 2.05–2.11 Å. In the second Mg site, Mg is bonded to four O atoms to form distorted MgO4 trigonal pyramids that share corners with eight SbO6 octahedra and corners with two equivalent MgO4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–83°. There are a spread of Mg–O bond distances ranging from 2.02–2.22 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six SbO6 octahedra, corners with four equivalent MgO4 tetrahedra, and corners with four equivalent MgO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 46–54°. There are a spread of Sb–O bond distances ranging from 2.23–2.32 Å. In the second Sb site, Sb is bonded to sixmore »
- Publication Date:
- Other Number(s):
- mvc-13644
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Mg-O-Sb; MgSbO3; crystal structure
- OSTI Identifier:
- 1318938
- DOI:
- https://doi.org/10.17188/1318938
Citation Formats
Materials Data on MgSbO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318938.
Materials Data on MgSbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1318938
2020.
"Materials Data on MgSbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1318938. https://www.osti.gov/servlets/purl/1318938. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1318938,
title = {Materials Data on MgSbO3 by Materials Project},
abstractNote = {MgSbO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to four O atoms to form distorted MgO4 tetrahedra that share corners with eight SbO6 octahedra and corners with two equivalent MgO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 64–81°. There are a spread of Mg–O bond distances ranging from 2.05–2.11 Å. In the second Mg site, Mg is bonded to four O atoms to form distorted MgO4 trigonal pyramids that share corners with eight SbO6 octahedra and corners with two equivalent MgO4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–83°. There are a spread of Mg–O bond distances ranging from 2.02–2.22 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six SbO6 octahedra, corners with four equivalent MgO4 tetrahedra, and corners with four equivalent MgO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 46–54°. There are a spread of Sb–O bond distances ranging from 2.23–2.32 Å. In the second Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six SbO6 octahedra, corners with four equivalent MgO4 tetrahedra, and corners with four equivalent MgO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 46–50°. There are a spread of Sb–O bond distances ranging from 1.99–2.19 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Mg and two Sb atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to one Mg and two Sb atoms. In the third O site, O is bonded to two Mg and two equivalent Sb atoms to form distorted corner-sharing OMg2Sb2 tetrahedra. In the fourth O site, O is bonded to two Mg and two equivalent Sb atoms to form distorted corner-sharing OMg2Sb2 tetrahedra.},
doi = {10.17188/1318938},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}