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Title: Materials Data on La4Cu3TeO12 by Materials Project

Abstract

La4Cu3TeO12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with two equivalent TeO6 octahedra, and faces with six equivalent CuO6 octahedra. All La–O bond lengths are 2.81 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with four equivalent CuO6 octahedra, and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.99 Å) and two longer (2.05 Å) Cu–O bond lengths. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengths are 1.92 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalentmore » La3+, one Cu2+, and one Te6+ atom.« less

Publication Date:
Other Number(s):
mp-1147683
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; La4Cu3TeO12; Cu-La-O-Te
OSTI Identifier:
1684450
DOI:
https://doi.org/10.17188/1684450

Citation Formats

The Materials Project. Materials Data on La4Cu3TeO12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684450.
The Materials Project. Materials Data on La4Cu3TeO12 by Materials Project. United States. doi:https://doi.org/10.17188/1684450
The Materials Project. 2020. "Materials Data on La4Cu3TeO12 by Materials Project". United States. doi:https://doi.org/10.17188/1684450. https://www.osti.gov/servlets/purl/1684450. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1684450,
title = {Materials Data on La4Cu3TeO12 by Materials Project},
author = {The Materials Project},
abstractNote = {La4Cu3TeO12 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, faces with two equivalent TeO6 octahedra, and faces with six equivalent CuO6 octahedra. All La–O bond lengths are 2.81 Å. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with four equivalent CuO6 octahedra, and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.99 Å) and two longer (2.05 Å) Cu–O bond lengths. Te6+ is bonded to six equivalent O2- atoms to form TeO6 octahedra that share corners with six equivalent CuO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengths are 1.92 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent La3+, one Cu2+, and one Te6+ atom.},
doi = {10.17188/1684450},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}