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Title: Materials Data on Pr4CdIr by Materials Project

Abstract

Pr4IrCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent Cd atoms. All Pr–Ir bond lengths are 2.93 Å. All Pr–Cd bond lengths are 3.60 Å. In the second Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Pr–Ir bond lengths are 2.92 Å. Both Pr–Cd bond lengths are 3.64 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Pr–Ir bond lengths are 3.61 Å. Both Pr–Cd bond lengths are 3.43 Å. Ir is bonded in a 6-coordinate geometry to nine Pr atoms. Cd is bonded to nine Pr and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdPr9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.19 Å.

Publication Date:
Other Number(s):
mp-1209709
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; Pr4CdIr; Cd-Ir-Pr
OSTI Identifier:
1652167
DOI:
https://doi.org/10.17188/1652167

Citation Formats

The Materials Project. Materials Data on Pr4CdIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652167.
The Materials Project. Materials Data on Pr4CdIr by Materials Project. United States. doi:https://doi.org/10.17188/1652167
The Materials Project. 2020. "Materials Data on Pr4CdIr by Materials Project". United States. doi:https://doi.org/10.17188/1652167. https://www.osti.gov/servlets/purl/1652167. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1652167,
title = {Materials Data on Pr4CdIr by Materials Project},
author = {The Materials Project},
abstractNote = {Pr4IrCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Ir and three equivalent Cd atoms. All Pr–Ir bond lengths are 2.93 Å. All Pr–Cd bond lengths are 3.60 Å. In the second Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and two equivalent Cd atoms. Both Pr–Ir bond lengths are 2.92 Å. Both Pr–Cd bond lengths are 3.64 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Cd atoms. Both Pr–Ir bond lengths are 3.61 Å. Both Pr–Cd bond lengths are 3.43 Å. Ir is bonded in a 6-coordinate geometry to nine Pr atoms. Cd is bonded to nine Pr and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdPr9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.19 Å.},
doi = {10.17188/1652167},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}