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Title: Materials Data on PrCoNi by Materials Project

Abstract

PrCoNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Co and six equivalent Ni atoms. All Pr–Co bond lengths are 3.02 Å. There are four shorter (3.00 Å) and two longer (3.04 Å) Pr–Ni bond lengths. Co is bonded to six equivalent Pr, two equivalent Co, and four equivalent Ni atoms to form CoPr6Co2Ni4 cuboctahedra that share corners with eight equivalent NiPr6Co4Ni2 cuboctahedra, corners with ten equivalent CoPr6Co2Ni4 cuboctahedra, edges with six equivalent CoPr6Co2Ni4 cuboctahedra, faces with six equivalent CoPr6Co2Ni4 cuboctahedra, and faces with twelve equivalent NiPr6Co4Ni2 cuboctahedra. Both Co–Co bond lengths are 2.55 Å. All Co–Ni bond lengths are 2.58 Å. Ni is bonded to six equivalent Pr, four equivalent Co, and two equivalent Ni atoms to form NiPr6Co4Ni2 cuboctahedra that share corners with eight equivalent CoPr6Co2Ni4 cuboctahedra, corners with ten equivalent NiPr6Co4Ni2 cuboctahedra, edges with six equivalent NiPr6Co4Ni2 cuboctahedra, faces with six equivalent NiPr6Co4Ni2 cuboctahedra, and faces with twelve equivalent CoPr6Co2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.58 Å.

Publication Date:
Other Number(s):
mp-1219684
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; PrCoNi; Co-Ni-Pr
OSTI Identifier:
1684454
DOI:
https://doi.org/10.17188/1684454

Citation Formats

The Materials Project. Materials Data on PrCoNi by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684454.
The Materials Project. Materials Data on PrCoNi by Materials Project. United States. doi:https://doi.org/10.17188/1684454
The Materials Project. 2019. "Materials Data on PrCoNi by Materials Project". United States. doi:https://doi.org/10.17188/1684454. https://www.osti.gov/servlets/purl/1684454. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1684454,
title = {Materials Data on PrCoNi by Materials Project},
author = {The Materials Project},
abstractNote = {PrCoNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Co and six equivalent Ni atoms. All Pr–Co bond lengths are 3.02 Å. There are four shorter (3.00 Å) and two longer (3.04 Å) Pr–Ni bond lengths. Co is bonded to six equivalent Pr, two equivalent Co, and four equivalent Ni atoms to form CoPr6Co2Ni4 cuboctahedra that share corners with eight equivalent NiPr6Co4Ni2 cuboctahedra, corners with ten equivalent CoPr6Co2Ni4 cuboctahedra, edges with six equivalent CoPr6Co2Ni4 cuboctahedra, faces with six equivalent CoPr6Co2Ni4 cuboctahedra, and faces with twelve equivalent NiPr6Co4Ni2 cuboctahedra. Both Co–Co bond lengths are 2.55 Å. All Co–Ni bond lengths are 2.58 Å. Ni is bonded to six equivalent Pr, four equivalent Co, and two equivalent Ni atoms to form NiPr6Co4Ni2 cuboctahedra that share corners with eight equivalent CoPr6Co2Ni4 cuboctahedra, corners with ten equivalent NiPr6Co4Ni2 cuboctahedra, edges with six equivalent NiPr6Co4Ni2 cuboctahedra, faces with six equivalent NiPr6Co4Ni2 cuboctahedra, and faces with twelve equivalent CoPr6Co2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.58 Å.},
doi = {10.17188/1684454},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}