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Title: Materials Data on Ti(BO)6 by Materials Project

Abstract

Ti(BO)6 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Ti(BO)6 ribbons oriented in the (0, 0, 1) direction. Ti is bonded in a distorted square co-planar geometry to two equivalent B and two equivalent O atoms. Both Ti–B bond lengths are 2.44 Å. Both Ti–O bond lengths are 2.08 Å. There are two inequivalent B sites. In the first B site, B is bonded in a distorted bent 120 degrees geometry to one Ti and two equivalent O atoms. Both B–O bond lengths are 1.41 Å. In the second B site, B is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.38 Å) and one longer (1.44 Å) B–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to one Ti and two equivalent B atoms.

Authors:
Publication Date:
Other Number(s):
mp-1208717
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; Ti(BO)6; B-O-Ti
OSTI Identifier:
1708205
DOI:
https://doi.org/10.17188/1708205

Citation Formats

The Materials Project. Materials Data on Ti(BO)6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1708205.
The Materials Project. Materials Data on Ti(BO)6 by Materials Project. United States. doi:https://doi.org/10.17188/1708205
The Materials Project. 2019. "Materials Data on Ti(BO)6 by Materials Project". United States. doi:https://doi.org/10.17188/1708205. https://www.osti.gov/servlets/purl/1708205. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1708205,
title = {Materials Data on Ti(BO)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti(BO)6 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Ti(BO)6 ribbons oriented in the (0, 0, 1) direction. Ti is bonded in a distorted square co-planar geometry to two equivalent B and two equivalent O atoms. Both Ti–B bond lengths are 2.44 Å. Both Ti–O bond lengths are 2.08 Å. There are two inequivalent B sites. In the first B site, B is bonded in a distorted bent 120 degrees geometry to one Ti and two equivalent O atoms. Both B–O bond lengths are 1.41 Å. In the second B site, B is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.38 Å) and one longer (1.44 Å) B–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to one Ti and two equivalent B atoms.},
doi = {10.17188/1708205},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}