U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TaTiSbO6 by Materials Project
Abstract
TiTaSbO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with six equivalent TaO6 octahedra and an edgeedge with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 38–53°. There are a spread of Ti–O bond distances ranging from 1.79–2.24 Å. Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share corners with six equivalent TiO6 octahedra and an edgeedge with one TaO6 octahedra. The corner-sharing octahedra tilt angles range from 38–53°. There are a spread of Ta–O bond distances ranging from 1.86–2.23 Å. Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.03–2.27 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one Ta5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two equivalent Ta5+more »
- Publication Date:
- Other Number(s):
- mp-1217838
- 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; O-Sb-Ta-Ti; TaTiSbO6; crystal structure
- OSTI Identifier:
- 1749387
- DOI:
- https://doi.org/10.17188/1749387
Citation Formats
Materials Data on TaTiSbO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1749387.
Materials Data on TaTiSbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1749387
2020.
"Materials Data on TaTiSbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1749387. https://www.osti.gov/servlets/purl/1749387. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1749387,
title = {Materials Data on TaTiSbO6 by Materials Project},
abstractNote = {TiTaSbO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with six equivalent TaO6 octahedra and an edgeedge with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 38–53°. There are a spread of Ti–O bond distances ranging from 1.79–2.24 Å. Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share corners with six equivalent TiO6 octahedra and an edgeedge with one TaO6 octahedra. The corner-sharing octahedra tilt angles range from 38–53°. There are a spread of Ta–O bond distances ranging from 1.86–2.23 Å. Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.03–2.27 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one Ta5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Ti4+ and one Ta5+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two equivalent Sb3+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ta5+ and two equivalent Sb3+ atoms.},
doi = {10.17188/1749387},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}