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Title: Materials Data on Pr2(SiPt)3 by Materials Project

Abstract

Pr2(PtSi)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded to four equivalent Pr3+, one Pt+0.67-, and one Si+1.33- atom to form a mixture of distorted corner and edge-sharing PrPr4SiPt octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Pr bond lengths are 2.82 Å. The Pr–Pt bond length is 2.86 Å. The Pr–Si bond length is 3.06 Å. There are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a distorted linear geometry to one Pr3+ and one Si+1.33- atom. The Pt–Si bond length is 2.37 Å. In the second Pt+0.67- site, Pt+0.67- is bonded in a distorted linear geometry to two equivalent Si+1.33- atoms. Both Pt–Si bond lengths are 2.35 Å. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted linear geometry to one Pr3+ and one Pt+0.67- atom. In the second Si+1.33- site, Si+1.33- is bonded in a linear geometry to two equivalent Pt+0.67- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1206158
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; Pr2(SiPt)3; Pr-Pt-Si
OSTI Identifier:
1687638
DOI:
https://doi.org/10.17188/1687638

Citation Formats

The Materials Project. Materials Data on Pr2(SiPt)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1687638.
The Materials Project. Materials Data on Pr2(SiPt)3 by Materials Project. United States. doi:https://doi.org/10.17188/1687638
The Materials Project. 2019. "Materials Data on Pr2(SiPt)3 by Materials Project". United States. doi:https://doi.org/10.17188/1687638. https://www.osti.gov/servlets/purl/1687638. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1687638,
title = {Materials Data on Pr2(SiPt)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2(PtSi)3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pr3+ is bonded to four equivalent Pr3+, one Pt+0.67-, and one Si+1.33- atom to form a mixture of distorted corner and edge-sharing PrPr4SiPt octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Pr bond lengths are 2.82 Å. The Pr–Pt bond length is 2.86 Å. The Pr–Si bond length is 3.06 Å. There are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a distorted linear geometry to one Pr3+ and one Si+1.33- atom. The Pt–Si bond length is 2.37 Å. In the second Pt+0.67- site, Pt+0.67- is bonded in a distorted linear geometry to two equivalent Si+1.33- atoms. Both Pt–Si bond lengths are 2.35 Å. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted linear geometry to one Pr3+ and one Pt+0.67- atom. In the second Si+1.33- site, Si+1.33- is bonded in a linear geometry to two equivalent Pt+0.67- atoms.},
doi = {10.17188/1687638},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}