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Title: Materials Data on Ti2Sb2O7 by Materials Project

Abstract

Ti2Sb2O7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.87–2.16 Å. In the second Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.77–2.44 Å. In the third Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.86–2.46 Å. In the fourth Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.80–2.39 Å. There are four inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.06–2.50 Å. In the second Sb3+ site, Sb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.74 Å. In the third Sb3+ site, Sb3+ is bondedmore » in a 5-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.06–2.55 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.05–2.26 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two Ti4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Ti4+ and three Sb3+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Ti4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Ti4+ and one Sb3+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ti4+ and two equivalent Sb3+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ti4+ and one Sb3+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Ti4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two Sb3+ atoms. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two Ti4+ and one Sb3+ atom. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two Ti4+ and two Sb3+ atoms. In the eleventh O2- site, O2- is bonded in a distorted T-shaped geometry to two Ti4+ and one Sb3+ atom. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to one Ti4+ and two Sb3+ atoms. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ti4+ and two Sb3+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted T-shaped geometry to two Ti4+ and one Sb3+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-771652
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; Ti2Sb2O7; O-Sb-Ti
OSTI Identifier:
1300734
DOI:
https://doi.org/10.17188/1300734

Citation Formats

The Materials Project. Materials Data on Ti2Sb2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300734.
The Materials Project. Materials Data on Ti2Sb2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1300734
The Materials Project. 2020. "Materials Data on Ti2Sb2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1300734. https://www.osti.gov/servlets/purl/1300734. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1300734,
title = {Materials Data on Ti2Sb2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2Sb2O7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.87–2.16 Å. In the second Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.77–2.44 Å. In the third Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.86–2.46 Å. In the fourth Ti4+ site, Ti4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.80–2.39 Å. There are four inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.06–2.50 Å. In the second Sb3+ site, Sb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.74 Å. In the third Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.06–2.55 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.05–2.26 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two Ti4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Ti4+ and three Sb3+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Ti4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Ti4+ and one Sb3+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ti4+ and two equivalent Sb3+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ti4+ and one Sb3+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Ti4+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ti4+ and two Sb3+ atoms. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two Ti4+ and one Sb3+ atom. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two Ti4+ and two Sb3+ atoms. In the eleventh O2- site, O2- is bonded in a distorted T-shaped geometry to two Ti4+ and one Sb3+ atom. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to one Ti4+ and two Sb3+ atoms. In the thirteenth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ti4+ and two Sb3+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted T-shaped geometry to two Ti4+ and one Sb3+ atom.},
doi = {10.17188/1300734},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}