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Title: Materials Data on Nd5CuSe8 by Materials Project

Abstract

Nd5CuSe8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Nd–Se bond distances ranging from 2.93–3.37 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.95 Å) and four longer (3.22 Å) Nd–Se bond lengths. Cu1+ is bonded in a 4-coordinate geometry to eight Se2- atoms. There are four shorter (2.78 Å) and four longer (3.35 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to five Nd3+ and one Cu1+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Nd3+ and one Cu1+ atom.

Authors:
Publication Date:
Other Number(s):
mp-36252
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; Nd5CuSe8; Cu-Nd-Se
OSTI Identifier:
1207155
DOI:
https://doi.org/10.17188/1207155

Citation Formats

The Materials Project. Materials Data on Nd5CuSe8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207155.
The Materials Project. Materials Data on Nd5CuSe8 by Materials Project. United States. doi:https://doi.org/10.17188/1207155
The Materials Project. 2020. "Materials Data on Nd5CuSe8 by Materials Project". United States. doi:https://doi.org/10.17188/1207155. https://www.osti.gov/servlets/purl/1207155. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1207155,
title = {Materials Data on Nd5CuSe8 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd5CuSe8 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Nd–Se bond distances ranging from 2.93–3.37 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.95 Å) and four longer (3.22 Å) Nd–Se bond lengths. Cu1+ is bonded in a 4-coordinate geometry to eight Se2- atoms. There are four shorter (2.78 Å) and four longer (3.35 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to five Nd3+ and one Cu1+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Nd3+ and one Cu1+ atom.},
doi = {10.17188/1207155},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}