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Title: Materials Data on BaTi(BO3)2 by Materials Project

Abstract

BaTi(BO3)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form distorted BaO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 65°. All Ba–O bond lengths are 2.81 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent BaO6 octahedra. The corner-sharing octahedral tilt angles are 65°. All Ti–O bond lengths are 1.97 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. O2- is bonded in a 2-coordinate geometry to one Ba2+, one Ti4+, and one B3+ atom.

Publication Date:
Other Number(s):
mp-11659
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BaTi(BO3)2; B-Ba-O-Ti
OSTI Identifier:
1188132
DOI:
https://doi.org/10.17188/1188132

Citation Formats

The Materials Project. Materials Data on BaTi(BO3)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1188132.
The Materials Project. Materials Data on BaTi(BO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1188132
The Materials Project. 2017. "Materials Data on BaTi(BO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1188132. https://www.osti.gov/servlets/purl/1188132. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1188132,
title = {Materials Data on BaTi(BO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaTi(BO3)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form distorted BaO6 octahedra that share corners with six equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 65°. All Ba–O bond lengths are 2.81 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent BaO6 octahedra. The corner-sharing octahedral tilt angles are 65°. All Ti–O bond lengths are 1.97 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.38 Å. O2- is bonded in a 2-coordinate geometry to one Ba2+, one Ti4+, and one B3+ atom.},
doi = {10.17188/1188132},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}