DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Er5Pt4 by Materials Project

Abstract

Er5Pt4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six Pt atoms. There are a spread of Er–Pt bond distances ranging from 2.81–3.00 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of Er–Pt bond distances ranging from 2.94–3.31 Å. In the third Er site, Er is bonded to six Pt atoms to form distorted corner-sharing ErPt6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Er–Pt bond distances ranging from 2.78–3.17 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to eight Er and one Pt atom. The Pt–Pt bond length is 2.78 Å. In the second Pt site, Pt is bonded in a 8-coordinate geometry to eight Er atoms. In the third Pt site, Pt is bonded in a 9-coordinate geometry to eight Er and one Pt atom.

Publication Date:
Other Number(s):
mp-1195885
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; Er5Pt4; Er-Pt
OSTI Identifier:
1655918
DOI:
https://doi.org/10.17188/1655918

Citation Formats

The Materials Project. Materials Data on Er5Pt4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655918.
The Materials Project. Materials Data on Er5Pt4 by Materials Project. United States. doi:https://doi.org/10.17188/1655918
The Materials Project. 2020. "Materials Data on Er5Pt4 by Materials Project". United States. doi:https://doi.org/10.17188/1655918. https://www.osti.gov/servlets/purl/1655918. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1655918,
title = {Materials Data on Er5Pt4 by Materials Project},
author = {The Materials Project},
abstractNote = {Er5Pt4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six Pt atoms. There are a spread of Er–Pt bond distances ranging from 2.81–3.00 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of Er–Pt bond distances ranging from 2.94–3.31 Å. In the third Er site, Er is bonded to six Pt atoms to form distorted corner-sharing ErPt6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Er–Pt bond distances ranging from 2.78–3.17 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to eight Er and one Pt atom. The Pt–Pt bond length is 2.78 Å. In the second Pt site, Pt is bonded in a 8-coordinate geometry to eight Er atoms. In the third Pt site, Pt is bonded in a 9-coordinate geometry to eight Er and one Pt atom.},
doi = {10.17188/1655918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}