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Title: Materials Data on TiBeO3 by Materials Project

Abstract

BeTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be2+ is bonded to six equivalent O2- atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent TiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.69 Å. Ti4+ is bonded to twelve equivalent O2- atoms to form TiO12 cuboctahedra that share corners with twelve equivalent TiO12 cuboctahedra, faces with six equivalent TiO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Ti–O bond lengths are 2.40 Å. O2- is bonded in a distorted linear geometry to two equivalent Be2+ and four equivalent Ti4+ atoms.

Publication Date:
Other Number(s):
mp-1187465
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; TiBeO3; Be-O-Ti
OSTI Identifier:
1745215
DOI:
https://doi.org/10.17188/1745215

Citation Formats

The Materials Project. Materials Data on TiBeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745215.
The Materials Project. Materials Data on TiBeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1745215
The Materials Project. 2020. "Materials Data on TiBeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1745215. https://www.osti.gov/servlets/purl/1745215. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1745215,
title = {Materials Data on TiBeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BeTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be2+ is bonded to six equivalent O2- atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent TiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.69 Å. Ti4+ is bonded to twelve equivalent O2- atoms to form TiO12 cuboctahedra that share corners with twelve equivalent TiO12 cuboctahedra, faces with six equivalent TiO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Ti–O bond lengths are 2.40 Å. O2- is bonded in a distorted linear geometry to two equivalent Be2+ and four equivalent Ti4+ atoms.},
doi = {10.17188/1745215},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}