U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SbAsO5 by Materials Project
Abstract
SbAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Sb–O bond distances ranging from 1.95–2.04 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There is two shorter (1.72 Å) and two longer (1.73 Å) As–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb5+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb5+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted bentmore »
- Publication Date:
- Other Number(s):
- mp-14368
- 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; As-O-Sb; SbAsO5; crystal structure
- OSTI Identifier:
- 1190635
- DOI:
- https://doi.org/10.17188/1190635
Citation Formats
Materials Data on SbAsO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190635.
Materials Data on SbAsO5 by Materials Project. United States. doi:https://doi.org/10.17188/1190635
2020.
"Materials Data on SbAsO5 by Materials Project". United States. doi:https://doi.org/10.17188/1190635. https://www.osti.gov/servlets/purl/1190635. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1190635,
title = {Materials Data on SbAsO5 by Materials Project},
abstractNote = {SbAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Sb–O bond distances ranging from 1.95–2.04 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There is two shorter (1.72 Å) and two longer (1.73 Å) As–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb5+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb5+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb5+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb5+ and one As5+ atom.},
doi = {10.17188/1190635},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}