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Title: Materials Data on Zr4CuP by Materials Project

Abstract

Zr4CuP is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to two equivalent Cu and two equivalent P atoms. Both Zr–Cu bond lengths are 2.83 Å. Both Zr–P bond lengths are 2.77 Å. Cu is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.71 Å. P is bonded in a 10-coordinate geometry to eight equivalent Zr atoms.

Publication Date:
Other Number(s):
mp-581733
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; Zr4CuP; Cu-P-Zr
OSTI Identifier:
1276882
DOI:
https://doi.org/10.17188/1276882

Citation Formats

The Materials Project. Materials Data on Zr4CuP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276882.
The Materials Project. Materials Data on Zr4CuP by Materials Project. United States. doi:https://doi.org/10.17188/1276882
The Materials Project. 2020. "Materials Data on Zr4CuP by Materials Project". United States. doi:https://doi.org/10.17188/1276882. https://www.osti.gov/servlets/purl/1276882. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1276882,
title = {Materials Data on Zr4CuP by Materials Project},
author = {The Materials Project},
abstractNote = {Zr4CuP is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to two equivalent Cu and two equivalent P atoms. Both Zr–Cu bond lengths are 2.83 Å. Both Zr–P bond lengths are 2.77 Å. Cu is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.71 Å. P is bonded in a 10-coordinate geometry to eight equivalent Zr atoms.},
doi = {10.17188/1276882},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}