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Title: Materials Data on Dy3Si11Pt23 by Materials Project

Abstract

Dy3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy3+ is bonded to eight equivalent Pt+1.26- atoms to form distorted corner-sharing DyPt8 cuboctahedra. All Dy–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 Dy3+ 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 (2.49 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 2.51 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

Publication Date:
Other Number(s):
mp-1200984
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; Dy3Si11Pt23; Dy-Pt-Si
OSTI Identifier:
1751165
DOI:
https://doi.org/10.17188/1751165

Citation Formats

The Materials Project. Materials Data on Dy3Si11Pt23 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751165.
The Materials Project. Materials Data on Dy3Si11Pt23 by Materials Project. United States. doi:https://doi.org/10.17188/1751165
The Materials Project. 2020. "Materials Data on Dy3Si11Pt23 by Materials Project". United States. doi:https://doi.org/10.17188/1751165. https://www.osti.gov/servlets/purl/1751165. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1751165,
title = {Materials Data on Dy3Si11Pt23 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy3+ is bonded to eight equivalent Pt+1.26- atoms to form distorted corner-sharing DyPt8 cuboctahedra. All Dy–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 Dy3+ 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 (2.49 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 2.51 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 = {10.17188/1751165},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}