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Title: Materials Data on Zr3Ir by Materials Project

Abstract

Zr3Ir crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a water-like geometry to two equivalent Ir atoms. Both Zr–Ir bond lengths are 2.80 Å. In the second Zr site, Zr is bonded in a distorted water-like geometry to two equivalent Ir atoms. Both Zr–Ir bond lengths are 2.80 Å. In the third Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Ir atoms. There are two shorter (2.75 Å) and two longer (2.94 Å) Zr–Ir bond lengths. Ir is bonded in a 8-coordinate geometry to eight Zr atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1205107
Report Number(s):
mp-30748
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Zr3Ir; Ir-Zr

Citation Formats

The Materials Project. Materials Data on Zr3Ir by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205107.
The Materials Project. Materials Data on Zr3Ir by Materials Project. United States. https://doi.org/10.17188/1205107
The Materials Project. 2020. "Materials Data on Zr3Ir by Materials Project". United States. https://doi.org/10.17188/1205107. https://www.osti.gov/servlets/purl/1205107.
@article{osti_1205107,
title = {Materials Data on Zr3Ir by Materials Project},
author = {The Materials Project},
abstractNote = {Zr3Ir crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a water-like geometry to two equivalent Ir atoms. Both Zr–Ir bond lengths are 2.80 Å. In the second Zr site, Zr is bonded in a distorted water-like geometry to two equivalent Ir atoms. Both Zr–Ir bond lengths are 2.80 Å. In the third Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Ir atoms. There are two shorter (2.75 Å) and two longer (2.94 Å) Zr–Ir bond lengths. Ir is bonded in a 8-coordinate geometry to eight Zr atoms.},
doi = {10.17188/1205107},
url = {https://www.osti.gov/biblio/1205107}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}