Materials Data on Mg3Sb2O7 by Materials Project
Abstract
Mg3Sb2O7 is Hausmannite-derived structured and 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 to four O2- atoms to form MgO4 trigonal pyramids that share corners with eight equivalent SbO6 octahedra and corners with two equivalent MgO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 66–82°. There are a spread of Mg–O bond distances ranging from 2.04–2.06 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 2.04–2.73 Å. Sb4+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with five equivalent SbO6 octahedra and corners with four equivalent MgO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 44–63°. There are a spread of Sb–O bond distances ranging from 2.06–2.32 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mg2+ and one Sb4+ atom to form distorted OMg3Sb tetrahedra that share corners with seven OMg3Sb tetrahedra and edges with two equivalent OMg2Sb2 tetrahedra. In the second O2- site, O2- is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mvc-14011
- 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; Mg3Sb2O7; Mg-O-Sb
- OSTI Identifier:
- 1319021
- DOI:
- https://doi.org/10.17188/1319021
Citation Formats
The Materials Project. Materials Data on Mg3Sb2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1319021.
The Materials Project. Materials Data on Mg3Sb2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1319021
The Materials Project. 2020.
"Materials Data on Mg3Sb2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1319021. https://www.osti.gov/servlets/purl/1319021. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1319021,
title = {Materials Data on Mg3Sb2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Sb2O7 is Hausmannite-derived structured and 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 to four O2- atoms to form MgO4 trigonal pyramids that share corners with eight equivalent SbO6 octahedra and corners with two equivalent MgO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 66–82°. There are a spread of Mg–O bond distances ranging from 2.04–2.06 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 2.04–2.73 Å. Sb4+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with five equivalent SbO6 octahedra and corners with four equivalent MgO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 44–63°. There are a spread of Sb–O bond distances ranging from 2.06–2.32 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Mg2+ and one Sb4+ atom to form distorted OMg3Sb tetrahedra that share corners with seven OMg3Sb tetrahedra and edges with two equivalent OMg2Sb2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+ and two equivalent Sb4+ atoms. In the third O2- site, O2- is bonded to two Mg2+ and two equivalent Sb4+ atoms to form distorted OMg2Sb2 tetrahedra that share corners with four OMg2Sb2 tetrahedra and edges with two equivalent OMg3Sb tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mg2+ and two equivalent Sb4+ atoms.},
doi = {10.17188/1319021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}