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Title: Materials Data on PrIn2Cl5 by Materials Project

Abstract

PrIn2Cl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr3+ is bonded to seven Cl1- atoms to form edge-sharing PrCl7 pentagonal bipyramids. There are a spread of Pr–Cl bond distances ranging from 2.80–2.89 Å. In1+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of In–Cl bond distances ranging from 3.21–3.34 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to one Pr3+ and four equivalent In1+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Pr3+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Pr3+ and four equivalent In1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pr3+ and two equivalent In1+ atoms.

Publication Date:
Other Number(s):
mp-650026
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; PrIn2Cl5; Cl-In-Pr
OSTI Identifier:
1280944
DOI:
https://doi.org/10.17188/1280944

Citation Formats

The Materials Project. Materials Data on PrIn2Cl5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280944.
The Materials Project. Materials Data on PrIn2Cl5 by Materials Project. United States. doi:https://doi.org/10.17188/1280944
The Materials Project. 2020. "Materials Data on PrIn2Cl5 by Materials Project". United States. doi:https://doi.org/10.17188/1280944. https://www.osti.gov/servlets/purl/1280944. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280944,
title = {Materials Data on PrIn2Cl5 by Materials Project},
author = {The Materials Project},
abstractNote = {PrIn2Cl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr3+ is bonded to seven Cl1- atoms to form edge-sharing PrCl7 pentagonal bipyramids. There are a spread of Pr–Cl bond distances ranging from 2.80–2.89 Å. In1+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of In–Cl bond distances ranging from 3.21–3.34 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to one Pr3+ and four equivalent In1+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Pr3+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Pr3+ and four equivalent In1+ atoms. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pr3+ and two equivalent In1+ atoms.},
doi = {10.17188/1280944},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}