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Title: Materials Data on LiTa2CuO6 by Materials Project

Abstract

LiTa2CuO6 is Hydrophilite-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Li–O bond lengths are 2.00 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are three shorter (2.00 Å) and three longer (2.02 Å) Ta–O bond lengths. Cu1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Cu–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Ta5+ atoms.

Publication Date:
Other Number(s):
mp-755367
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; LiTa2CuO6; Cu-Li-O-Ta
OSTI Identifier:
1289962
DOI:
10.17188/1289962

Citation Formats

The Materials Project. Materials Data on LiTa2CuO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289962.
The Materials Project. Materials Data on LiTa2CuO6 by Materials Project. United States. doi:10.17188/1289962.
The Materials Project. 2020. "Materials Data on LiTa2CuO6 by Materials Project". United States. doi:10.17188/1289962. https://www.osti.gov/servlets/purl/1289962. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1289962,
title = {Materials Data on LiTa2CuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiTa2CuO6 is Hydrophilite-derived structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Li–O bond lengths are 2.00 Å. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are three shorter (2.00 Å) and three longer (2.02 Å) Ta–O bond lengths. Cu1+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Cu–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Cu1+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Ta5+ atoms.},
doi = {10.17188/1289962},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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