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Title: Materials Data on Pr2I5 by Materials Project

Abstract

Pr2I5 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Pr2I5 sheet oriented in the (-1, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to seven I atoms to form a mixture of distorted edge and face-sharing PrI7 pentagonal bipyramids. There are a spread of Pr–I bond distances ranging from 3.23–3.37 Å. In the second Pr site, Pr is bonded to seven I atoms to form distorted edge-sharing PrI7 pentagonal bipyramids. There are a spread of Pr–I bond distances ranging from 3.18–3.45 Å. There are five inequivalent I sites. In the first I site, I is bonded in an L-shaped geometry to two equivalent Pr atoms. In the second I site, I is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr atoms. In the third I site, I is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr atoms. In the fourth I site, I is bonded in a distorted T-shaped geometry to three Pr atoms. In the fifth I site, I is bonded in a distorted T-shaped geometry to three Pr atoms.

Publication Date:
Other Number(s):
mp-22854
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; Pr2I5; I-Pr
OSTI Identifier:
1199019
DOI:
10.17188/1199019

Citation Formats

The Materials Project. Materials Data on Pr2I5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199019.
The Materials Project. Materials Data on Pr2I5 by Materials Project. United States. doi:10.17188/1199019.
The Materials Project. 2020. "Materials Data on Pr2I5 by Materials Project". United States. doi:10.17188/1199019. https://www.osti.gov/servlets/purl/1199019. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199019,
title = {Materials Data on Pr2I5 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2I5 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Pr2I5 sheet oriented in the (-1, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to seven I atoms to form a mixture of distorted edge and face-sharing PrI7 pentagonal bipyramids. There are a spread of Pr–I bond distances ranging from 3.23–3.37 Å. In the second Pr site, Pr is bonded to seven I atoms to form distorted edge-sharing PrI7 pentagonal bipyramids. There are a spread of Pr–I bond distances ranging from 3.18–3.45 Å. There are five inequivalent I sites. In the first I site, I is bonded in an L-shaped geometry to two equivalent Pr atoms. In the second I site, I is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr atoms. In the third I site, I is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pr atoms. In the fourth I site, I is bonded in a distorted T-shaped geometry to three Pr atoms. In the fifth I site, I is bonded in a distorted T-shaped geometry to three Pr atoms.},
doi = {10.17188/1199019},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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