Title: Materials Data on Pr3Ir by Materials Project

Abstract

Pr3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pr3Ir sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.93 Å) and one longer (2.97 Å) Pr–Ir bond lengths. In the second Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.92 Å) and one longer (3.01 Å) Pr–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to six Pr atoms.

Publication Date:
Other Number(s):
mp-1106395
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; Ir-Pr; Pr3Ir
OSTI Identifier:
1662447
DOI:
https://doi.org/10.17188/1662447

Citation Formats

Materials Data on Pr3Ir by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662447.
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Materials Data on Pr3Ir by Materials Project. United States. doi:https://doi.org/10.17188/1662447
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2020. "Materials Data on Pr3Ir by Materials Project". United States. doi:https://doi.org/10.17188/1662447. https://www.osti.gov/servlets/purl/1662447. Pub date:Tue Jul 14 20:00:00 EDT 2020
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@article{osti_1662447,
title = {Materials Data on Pr3Ir by Materials Project},
abstractNote = {Pr3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pr3Ir sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.93 Å) and one longer (2.97 Å) Pr–Ir bond lengths. In the second Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.92 Å) and one longer (3.01 Å) Pr–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to six Pr atoms.},
doi = {10.17188/1662447},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1662447
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