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Title: Materials Data on Cr3IrN by Materials Project

Abstract

Cr3IrN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded in a linear geometry to four equivalent Ir and two equivalent N atoms. All Cr–Ir bond lengths are 2.70 Å. Both Cr–N bond lengths are 1.91 Å. Ir is bonded to twelve equivalent Cr atoms to form IrCr12 cuboctahedra that share corners with twelve equivalent IrCr12 cuboctahedra, faces with six equivalent IrCr12 cuboctahedra, and faces with eight equivalent NCr6 octahedra. N is bonded to six equivalent Cr atoms to form NCr6 octahedra that share corners with six equivalent NCr6 octahedra and faces with eight equivalent IrCr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505628
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; Cr3IrN; Cr-Ir-N
OSTI Identifier:
1262655
DOI:
10.17188/1262655

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cr3IrN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262655.
Persson, Kristin, & Project, Materials. Materials Data on Cr3IrN by Materials Project. United States. doi:10.17188/1262655.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cr3IrN by Materials Project". United States. doi:10.17188/1262655. https://www.osti.gov/servlets/purl/1262655. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1262655,
title = {Materials Data on Cr3IrN by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cr3IrN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr is bonded in a linear geometry to four equivalent Ir and two equivalent N atoms. All Cr–Ir bond lengths are 2.70 Å. Both Cr–N bond lengths are 1.91 Å. Ir is bonded to twelve equivalent Cr atoms to form IrCr12 cuboctahedra that share corners with twelve equivalent IrCr12 cuboctahedra, faces with six equivalent IrCr12 cuboctahedra, and faces with eight equivalent NCr6 octahedra. N is bonded to six equivalent Cr atoms to form NCr6 octahedra that share corners with six equivalent NCr6 octahedra and faces with eight equivalent IrCr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1262655},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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