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Title: Materials Data on Er3Si11Pt23 by Materials Project

Abstract

Er3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er3+ is bonded to eight equivalent Pt+1.26- atoms to form distorted corner-sharing ErPt8 cuboctahedra. All Er–Pt bond lengths are 3.16 Å. There are four inequivalent Pt+1.26- sites. In the first Pt+1.26- site, Pt+1.26- is bonded in a distorted square co-planar geometry to four equivalent Si+1.82+ atoms. All Pt–Si bond lengths are 2.58 Å. In the second Pt+1.26- site, Pt+1.26- is bonded in a 3-coordinate geometry to two equivalent Er3+ and three Si+1.82+ atoms. There are one shorter (2.43 Å) and two longer (2.46 Å) Pt–Si bond lengths. In the third Pt+1.26- site, Pt+1.26- is bonded to four Si+1.82+ atoms to form a mixture of corner and edge-sharing PtSi4 tetrahedra. There are one shorter (2.43 Å) and three longer (2.50 Å) Pt–Si bond lengths. In the fourth Pt+1.26- site, Pt+1.26- is bonded to four Si+1.82+ atoms to form a mixture of distorted corner and edge-sharing PtSi4 tetrahedra. All Pt–Si bond lengths are 2.52 Å. There are three inequivalent Si+1.82+ sites. In the first Si+1.82+ site, Si+1.82+ is bonded in a 7-coordinate geometry to seven Pt+1.26- atoms. In the second Si+1.82+ site, Si+1.82+ is bonded in a body-centered cubic geometrymore » to eight Pt+1.26- atoms. In the third Si+1.82+ site, Si+1.82+ is bonded in a 7-coordinate geometry to seven Pt+1.26- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1201817
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; Er3Si11Pt23; Er-Pt-Si
OSTI Identifier:
1689801
DOI:
https://doi.org/10.17188/1689801

Citation Formats

The Materials Project. Materials Data on Er3Si11Pt23 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689801.
The Materials Project. Materials Data on Er3Si11Pt23 by Materials Project. United States. doi:https://doi.org/10.17188/1689801
The Materials Project. 2020. "Materials Data on Er3Si11Pt23 by Materials Project". United States. doi:https://doi.org/10.17188/1689801. https://www.osti.gov/servlets/purl/1689801. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1689801,
title = {Materials Data on Er3Si11Pt23 by Materials Project},
author = {The Materials Project},
abstractNote = {Er3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er3+ is bonded to eight equivalent Pt+1.26- atoms to form distorted corner-sharing ErPt8 cuboctahedra. All Er–Pt bond lengths are 3.16 Å. There are four inequivalent Pt+1.26- sites. In the first Pt+1.26- site, Pt+1.26- is bonded in a distorted square co-planar geometry to four equivalent Si+1.82+ atoms. All Pt–Si bond lengths are 2.58 Å. In the second Pt+1.26- site, Pt+1.26- is bonded in a 3-coordinate geometry to two equivalent Er3+ and three Si+1.82+ atoms. There are one shorter (2.43 Å) and two longer (2.46 Å) Pt–Si bond lengths. In the third Pt+1.26- site, Pt+1.26- is bonded to four Si+1.82+ atoms to form a mixture of corner and edge-sharing PtSi4 tetrahedra. There are one shorter (2.43 Å) and three longer (2.50 Å) Pt–Si bond lengths. In the fourth Pt+1.26- site, Pt+1.26- is bonded to four Si+1.82+ atoms to form a mixture of distorted corner and edge-sharing PtSi4 tetrahedra. All Pt–Si bond lengths are 2.52 Å. There are three inequivalent Si+1.82+ sites. In the first Si+1.82+ site, Si+1.82+ is bonded in a 7-coordinate geometry to seven Pt+1.26- atoms. In the second Si+1.82+ site, Si+1.82+ is bonded in a body-centered cubic geometry to eight Pt+1.26- atoms. In the third Si+1.82+ site, Si+1.82+ is bonded in a 7-coordinate geometry to seven Pt+1.26- atoms.},
doi = {10.17188/1689801},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}