DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LiTi2BiO6 by Materials Project

Abstract

LiTi2BiO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.22 Å) and three longer (2.34 Å) Li–O bond lengths. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 26–32°. There are three shorter (1.86 Å) and three longer (2.16 Å) Ti–O bond lengths. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 26–32°. There are three shorter (1.88 Å) and three longer (2.13 Å) Ti–O bond lengths. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.36 Å) and three longer (2.40 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two Ti4+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two Ti4+, and one Bi3+ atom.

Publication Date:
Other Number(s):
mp-1120796
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; LiTi2BiO6; Bi-Li-O-Ti
OSTI Identifier:
1753062
DOI:
https://doi.org/10.17188/1753062

Citation Formats

The Materials Project. Materials Data on LiTi2BiO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753062.
The Materials Project. Materials Data on LiTi2BiO6 by Materials Project. United States. doi:https://doi.org/10.17188/1753062
The Materials Project. 2020. "Materials Data on LiTi2BiO6 by Materials Project". United States. doi:https://doi.org/10.17188/1753062. https://www.osti.gov/servlets/purl/1753062. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753062,
title = {Materials Data on LiTi2BiO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiTi2BiO6 is Ilmenite-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.22 Å) and three longer (2.34 Å) Li–O bond lengths. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 26–32°. There are three shorter (1.86 Å) and three longer (2.16 Å) Ti–O bond lengths. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form distorted corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 26–32°. There are three shorter (1.88 Å) and three longer (2.13 Å) Ti–O bond lengths. Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.36 Å) and three longer (2.40 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two Ti4+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two Ti4+, and one Bi3+ atom.},
doi = {10.17188/1753062},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}