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Title: Materials Data on LiTaO3 by Materials Project

Abstract

LiTaO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.08 Å) and three longer (2.31 Å) Li–O bond lengths. Ta5+ is bonded to six equivalent O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are three shorter (1.93 Å) and three longer (2.09 Å) Ta–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Li1+ and two equivalent Ta5+ atoms.

Publication Date:
Other Number(s):
mp-3666
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; LiTaO3; Li-O-Ta
OSTI Identifier:
1207210
DOI:
https://doi.org/10.17188/1207210

Citation Formats

The Materials Project. Materials Data on LiTaO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207210.
The Materials Project. Materials Data on LiTaO3 by Materials Project. United States. doi:https://doi.org/10.17188/1207210
The Materials Project. 2020. "Materials Data on LiTaO3 by Materials Project". United States. doi:https://doi.org/10.17188/1207210. https://www.osti.gov/servlets/purl/1207210. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207210,
title = {Materials Data on LiTaO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiTaO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.08 Å) and three longer (2.31 Å) Li–O bond lengths. Ta5+ is bonded to six equivalent O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are three shorter (1.93 Å) and three longer (2.09 Å) Ta–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Li1+ and two equivalent Ta5+ atoms.},
doi = {10.17188/1207210},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}