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Title: Materials Data on Pr3PtI3 by Materials Project

Abstract

Pr3PtI3 is Ilmenite-like structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent Pt and four equivalent I atoms to form a mixture of distorted corner and edge-sharing PrPt2I4 octahedra. The corner-sharing octahedra tilt angles range from 7–11°. Both Pr–Pt bond lengths are 2.92 Å. There are two shorter (3.30 Å) and two longer (3.44 Å) Pr–I bond lengths. Pt is bonded to six equivalent Pr atoms to form edge-sharing PtPr6 octahedra. I is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.

Authors:
Publication Date:
Other Number(s):
mp-653855
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; Pr3PtI3; I-Pr-Pt
OSTI Identifier:
1281250
DOI:
https://doi.org/10.17188/1281250

Citation Formats

The Materials Project. Materials Data on Pr3PtI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281250.
The Materials Project. Materials Data on Pr3PtI3 by Materials Project. United States. doi:https://doi.org/10.17188/1281250
The Materials Project. 2020. "Materials Data on Pr3PtI3 by Materials Project". United States. doi:https://doi.org/10.17188/1281250. https://www.osti.gov/servlets/purl/1281250. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1281250,
title = {Materials Data on Pr3PtI3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3PtI3 is Ilmenite-like structured and crystallizes in the cubic I4_132 space group. The structure is three-dimensional. Pr is bonded to two equivalent Pt and four equivalent I atoms to form a mixture of distorted corner and edge-sharing PrPt2I4 octahedra. The corner-sharing octahedra tilt angles range from 7–11°. Both Pr–Pt bond lengths are 2.92 Å. There are two shorter (3.30 Å) and two longer (3.44 Å) Pr–I bond lengths. Pt is bonded to six equivalent Pr atoms to form edge-sharing PtPr6 octahedra. I is bonded in a rectangular see-saw-like geometry to four equivalent Pr atoms.},
doi = {10.17188/1281250},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}