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Title: Materials Data on Zr10(IrPt)3 by Materials Project

Abstract

Zr10(IrPt)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to three equivalent Ir and three equivalent Pt atoms. All Zr–Ir bond lengths are 2.87 Å. All Zr–Pt bond lengths are 2.88 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to three equivalent Ir and two equivalent Pt atoms. There are two shorter (2.81 Å) and one longer (2.97 Å) Zr–Ir bond lengths. Both Zr–Pt bond lengths are 3.02 Å. In the third Zr site, Zr is bonded in a 5-coordinate geometry to two equivalent Ir and three equivalent Pt atoms. Both Zr–Ir bond lengths are 3.00 Å. There are two shorter (2.82 Å) and one longer (2.94 Å) Zr–Pt bond lengths. Ir is bonded in a 9-coordinate geometry to nine Zr atoms. Pt is bonded in a 9-coordinate geometry to nine Zr atoms.

Publication Date:
Other Number(s):
mp-1215751
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; Zr10(IrPt)3; Ir-Pt-Zr
OSTI Identifier:
1685773
DOI:
https://doi.org/10.17188/1685773

Citation Formats

The Materials Project. Materials Data on Zr10(IrPt)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685773.
The Materials Project. Materials Data on Zr10(IrPt)3 by Materials Project. United States. doi:https://doi.org/10.17188/1685773
The Materials Project. 2019. "Materials Data on Zr10(IrPt)3 by Materials Project". United States. doi:https://doi.org/10.17188/1685773. https://www.osti.gov/servlets/purl/1685773. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1685773,
title = {Materials Data on Zr10(IrPt)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr10(IrPt)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to three equivalent Ir and three equivalent Pt atoms. All Zr–Ir bond lengths are 2.87 Å. All Zr–Pt bond lengths are 2.88 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to three equivalent Ir and two equivalent Pt atoms. There are two shorter (2.81 Å) and one longer (2.97 Å) Zr–Ir bond lengths. Both Zr–Pt bond lengths are 3.02 Å. In the third Zr site, Zr is bonded in a 5-coordinate geometry to two equivalent Ir and three equivalent Pt atoms. Both Zr–Ir bond lengths are 3.00 Å. There are two shorter (2.82 Å) and one longer (2.94 Å) Zr–Pt bond lengths. Ir is bonded in a 9-coordinate geometry to nine Zr atoms. Pt is bonded in a 9-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1685773},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}