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Title: Materials Data on ErInPt by Materials Project

Abstract

ErPtIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Pt and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.10 Å) Er–Pt bond lengths. There are two shorter (3.19 Å) and four longer (3.33 Å) Er–In bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Pt–In bond lengths are 2.78 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Pt–In bond lengths are 2.87 Å. In is bonded in a 10-coordinate geometry to six equivalent Er and four Pt atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3526
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; ErInPt; Er-In-Pt
OSTI Identifier:
1206969
DOI:
10.17188/1206969

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ErInPt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206969.
Persson, Kristin, & Project, Materials. Materials Data on ErInPt by Materials Project. United States. doi:10.17188/1206969.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ErInPt by Materials Project". United States. doi:10.17188/1206969. https://www.osti.gov/servlets/purl/1206969. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1206969,
title = {Materials Data on ErInPt by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ErPtIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Pt and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.10 Å) Er–Pt bond lengths. There are two shorter (3.19 Å) and four longer (3.33 Å) Er–In bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Pt–In bond lengths are 2.78 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Pt–In bond lengths are 2.87 Å. In is bonded in a 10-coordinate geometry to six equivalent Er and four Pt atoms.},
doi = {10.17188/1206969},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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