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Title: Materials Data on LuCuTe2 by Materials Project

Abstract

LuCuTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent Te2- atoms to form LuTe6 octahedra that share corners with twelve equivalent CuTe6 octahedra, edges with six equivalent LuTe6 octahedra, and faces with two equivalent CuTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Lu–Te bond lengths are 3.03 Å. Cu1+ is bonded to six equivalent Te2- atoms to form CuTe6 octahedra that share corners with twelve equivalent LuTe6 octahedra, edges with six equivalent CuTe6 octahedra, and faces with two equivalent LuTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cu–Te bond lengths are 2.87 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Lu3+ and three equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1206615
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LuCuTe2; Cu-Lu-Te
OSTI Identifier:
1672285
DOI:
https://doi.org/10.17188/1672285

Citation Formats

The Materials Project. Materials Data on LuCuTe2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672285.
The Materials Project. Materials Data on LuCuTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1672285
The Materials Project. 2019. "Materials Data on LuCuTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1672285. https://www.osti.gov/servlets/purl/1672285. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1672285,
title = {Materials Data on LuCuTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {LuCuTe2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent Te2- atoms to form LuTe6 octahedra that share corners with twelve equivalent CuTe6 octahedra, edges with six equivalent LuTe6 octahedra, and faces with two equivalent CuTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Lu–Te bond lengths are 3.03 Å. Cu1+ is bonded to six equivalent Te2- atoms to form CuTe6 octahedra that share corners with twelve equivalent LuTe6 octahedra, edges with six equivalent CuTe6 octahedra, and faces with two equivalent LuTe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cu–Te bond lengths are 2.87 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Lu3+ and three equivalent Cu1+ atoms.},
doi = {10.17188/1672285},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}