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Title: Materials Data on Pr3(SiNi3)2 by Materials Project

Abstract

Pr3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.89 Å) and four longer (2.99 Å) Pr–Ni bond lengths. All Pr–Si bond lengths are 3.18 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Pr, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.58 Å. Both Ni–Si bond lengths are 2.46 Å. Si is bonded to six equivalent Pr and six equivalent Ni atoms to form a mixture of corner and face-sharing SiPr6Ni6 cuboctahedra.

Publication Date:
Other Number(s):
mp-1191765
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; Pr3(SiNi3)2; Ni-Pr-Si
OSTI Identifier:
1757481
DOI:
https://doi.org/10.17188/1757481

Citation Formats

The Materials Project. Materials Data on Pr3(SiNi3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757481.
The Materials Project. Materials Data on Pr3(SiNi3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1757481
The Materials Project. 2020. "Materials Data on Pr3(SiNi3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1757481. https://www.osti.gov/servlets/purl/1757481. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757481,
title = {Materials Data on Pr3(SiNi3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3(Ni3Si)2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight equivalent Ni and four equivalent Si atoms. There are four shorter (2.89 Å) and four longer (2.99 Å) Pr–Ni bond lengths. All Pr–Si bond lengths are 3.18 Å. Ni is bonded in a 12-coordinate geometry to four equivalent Pr, four equivalent Ni, and two equivalent Si atoms. All Ni–Ni bond lengths are 2.58 Å. Both Ni–Si bond lengths are 2.46 Å. Si is bonded to six equivalent Pr and six equivalent Ni atoms to form a mixture of corner and face-sharing SiPr6Ni6 cuboctahedra.},
doi = {10.17188/1757481},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}