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Title: Materials Data on Li3Ti2(PO4)3 by Materials Project

Abstract

Li3Ti2(PO4)3 is Esseneite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.34 Å) and four longer (2.52 Å) Li–O bond lengths. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Ti–O bond lengths are 2.04 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 45°. All P–O bond lengths are 1.56 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Ti3+, and one P5+ atom.

Publication Date:
Other Number(s):
mp-757914
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; Li3Ti2(PO4)3; Li-O-P-Ti
OSTI Identifier:
1290937
DOI:
10.17188/1290937

Citation Formats

The Materials Project. Materials Data on Li3Ti2(PO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290937.
The Materials Project. Materials Data on Li3Ti2(PO4)3 by Materials Project. United States. doi:10.17188/1290937.
The Materials Project. 2020. "Materials Data on Li3Ti2(PO4)3 by Materials Project". United States. doi:10.17188/1290937. https://www.osti.gov/servlets/purl/1290937. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1290937,
title = {Materials Data on Li3Ti2(PO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li3Ti2(PO4)3 is Esseneite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Li1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.34 Å) and four longer (2.52 Å) Li–O bond lengths. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. All Ti–O bond lengths are 2.04 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedral tilt angles are 45°. All P–O bond lengths are 1.56 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Ti3+, and one P5+ atom.},
doi = {10.17188/1290937},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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