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Title: Materials Data on LiNdTiO4 by Materials Project

Abstract

LiNdTiO4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. All Li–O bond lengths are 2.03 Å. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.33–2.70 Å. Ti4+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.80–2.64 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five equivalent Nd3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Ti4+ atoms.

Publication Date:
Other Number(s):
mp-10520
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; LiNdTiO4; Li-Nd-O-Ti
OSTI Identifier:
1187176
DOI:
https://doi.org/10.17188/1187176

Citation Formats

The Materials Project. Materials Data on LiNdTiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187176.
The Materials Project. Materials Data on LiNdTiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1187176
The Materials Project. 2020. "Materials Data on LiNdTiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1187176. https://www.osti.gov/servlets/purl/1187176. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187176,
title = {Materials Data on LiNdTiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiNdTiO4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form a mixture of distorted corner and edge-sharing LiO4 trigonal pyramids. All Li–O bond lengths are 2.03 Å. Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.33–2.70 Å. Ti4+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Ti–O bond distances ranging from 1.80–2.64 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five equivalent Nd3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two equivalent Ti4+ atoms.},
doi = {10.17188/1187176},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}