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Title: Materials Data on ZrCuGeAs by Materials Project

Abstract

ZrCuGeAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ge and four equivalent As atoms. All Zr–Ge bond lengths are 2.88 Å. All Zr–As bond lengths are 2.81 Å. Cu is bonded to four equivalent As atoms to form a mixture of distorted corner and edge-sharing CuAs4 cuboctahedra. All Cu–As bond lengths are 2.53 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.65 Å. As is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Cu atoms.

Authors:
Publication Date:
Other Number(s):
mp-1078698
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; ZrCuGeAs; As-Cu-Ge-Zr
OSTI Identifier:
1679358
DOI:
https://doi.org/10.17188/1679358

Citation Formats

The Materials Project. Materials Data on ZrCuGeAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679358.
The Materials Project. Materials Data on ZrCuGeAs by Materials Project. United States. doi:https://doi.org/10.17188/1679358
The Materials Project. 2020. "Materials Data on ZrCuGeAs by Materials Project". United States. doi:https://doi.org/10.17188/1679358. https://www.osti.gov/servlets/purl/1679358. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1679358,
title = {Materials Data on ZrCuGeAs by Materials Project},
author = {The Materials Project},
abstractNote = {ZrCuGeAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ge and four equivalent As atoms. All Zr–Ge bond lengths are 2.88 Å. All Zr–As bond lengths are 2.81 Å. Cu is bonded to four equivalent As atoms to form a mixture of distorted corner and edge-sharing CuAs4 cuboctahedra. All Cu–As bond lengths are 2.53 Å. Ge is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.65 Å. As is bonded in a 8-coordinate geometry to four equivalent Zr and four equivalent Cu atoms.},
doi = {10.17188/1679358},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}