U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Mg2Sb3O8 by Materials Project
Abstract
Mg2Sb3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.12–2.46 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form edge-sharing SbO6 octahedra. There are four shorter (2.29 Å) and two longer (2.37 Å) Sb–O bond lengths. In the second Sb site, Sb is bonded to six O atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 2.05–2.16 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Mg and two equivalent Sb atoms. In the second O site, O is bonded in a rectangular see-saw-like geometry to one Mg and three Sb atoms. In the third O site, O is bonded to two equivalent Mg and two Sb atoms to form a mixture of distorted corner and edge-sharing OMg2Sb2 tetrahedra.
- Publication Date:
- Other Number(s):
- mvc-2971
- 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; Mg2Sb3O8; crystal structure
- OSTI Identifier:
- 1320345
- DOI:
- https://doi.org/10.17188/1320345
Citation Formats
Materials Data on Mg2Sb3O8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1320345.
Materials Data on Mg2Sb3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1320345
2020.
"Materials Data on Mg2Sb3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1320345. https://www.osti.gov/servlets/purl/1320345. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1320345,
title = {Materials Data on Mg2Sb3O8 by Materials Project},
abstractNote = {Mg2Sb3O8 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.12–2.46 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form edge-sharing SbO6 octahedra. There are four shorter (2.29 Å) and two longer (2.37 Å) Sb–O bond lengths. In the second Sb site, Sb is bonded to six O atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 2.05–2.16 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Mg and two equivalent Sb atoms. In the second O site, O is bonded in a rectangular see-saw-like geometry to one Mg and three Sb atoms. In the third O site, O is bonded to two equivalent Mg and two Sb atoms to form a mixture of distorted corner and edge-sharing OMg2Sb2 tetrahedra.},
doi = {10.17188/1320345},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}