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Title: 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 » 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.« less

Authors:
Publication Date:
Other Number(s):
mp-1217838
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; TaTiSbO6; O-Sb-Ta-Ti
OSTI Identifier:
1749387
DOI:
https://doi.org/10.17188/1749387

Citation Formats

The Materials Project. Materials Data on TaTiSbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749387.
The Materials Project. Materials Data on TaTiSbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1749387
The Materials Project. 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},
author = {The 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}
}