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Title: Materials Data on Li2Ti3BiO8 by Materials Project

Abstract

Li2Ti3BiO8 is Marcasite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Li–O bond lengths are 1.91 Å. Ti+3.67+ is bonded to six O2- atoms to form edge-sharing TiO6 octahedra. There are two shorter (2.02 Å) and four longer (2.03 Å) Ti–O bond lengths. Bi3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Bi–O bond lengths are 2.36 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Ti+3.67+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Ti+3.67+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-754723
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; Li2Ti3BiO8; Bi-Li-O-Ti
OSTI Identifier:
1289532
DOI:
https://doi.org/10.17188/1289532

Citation Formats

The Materials Project. Materials Data on Li2Ti3BiO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289532.
The Materials Project. Materials Data on Li2Ti3BiO8 by Materials Project. United States. doi:https://doi.org/10.17188/1289532
The Materials Project. 2020. "Materials Data on Li2Ti3BiO8 by Materials Project". United States. doi:https://doi.org/10.17188/1289532. https://www.osti.gov/servlets/purl/1289532. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289532,
title = {Materials Data on Li2Ti3BiO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Ti3BiO8 is Marcasite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Li–O bond lengths are 1.91 Å. Ti+3.67+ is bonded to six O2- atoms to form edge-sharing TiO6 octahedra. There are two shorter (2.02 Å) and four longer (2.03 Å) Ti–O bond lengths. Bi3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Bi–O bond lengths are 2.36 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+, two equivalent Ti+3.67+, and one Bi3+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Ti+3.67+ atoms.},
doi = {10.17188/1289532},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}