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Title: Materials Data on Pr3Si3Ni by Materials Project

Abstract

Pr3NiSi3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are a spread of Pr–Si bond distances ranging from 3.14–3.32 Å. In the second Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Pr–Si bond distances ranging from 3.07–3.30 Å. In the third Pr3+ site, Pr3+ is bonded to five Si4- atoms to form a mixture of distorted corner and edge-sharing PrSi5 trigonal bipyramids. There are four shorter (3.08 Å) and one longer (3.26 Å) Pr–Si bond lengths. Ni3+ is bonded in a trigonal planar geometry to three Si4- atoms. There are one shorter (2.27 Å) and two longer (2.34 Å) Ni–Si bond lengths. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Pr3+ and two equivalent Ni3+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Pr3+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.48 Å. In the third Si4- site, Si4- is bonded inmore » a 9-coordinate geometry to six Pr3+, one Ni3+, and two equivalent Si4- atoms.« less

Publication Date:
Other Number(s):
mp-1219833
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; Pr3Si3Ni; Ni-Pr-Si
OSTI Identifier:
1751308
DOI:
https://doi.org/10.17188/1751308

Citation Formats

The Materials Project. Materials Data on Pr3Si3Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751308.
The Materials Project. Materials Data on Pr3Si3Ni by Materials Project. United States. doi:https://doi.org/10.17188/1751308
The Materials Project. 2020. "Materials Data on Pr3Si3Ni by Materials Project". United States. doi:https://doi.org/10.17188/1751308. https://www.osti.gov/servlets/purl/1751308. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1751308,
title = {Materials Data on Pr3Si3Ni by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3NiSi3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are three inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are a spread of Pr–Si bond distances ranging from 3.14–3.32 Å. In the second Pr3+ site, Pr3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Pr–Si bond distances ranging from 3.07–3.30 Å. In the third Pr3+ site, Pr3+ is bonded to five Si4- atoms to form a mixture of distorted corner and edge-sharing PrSi5 trigonal bipyramids. There are four shorter (3.08 Å) and one longer (3.26 Å) Pr–Si bond lengths. Ni3+ is bonded in a trigonal planar geometry to three Si4- atoms. There are one shorter (2.27 Å) and two longer (2.34 Å) Ni–Si bond lengths. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Pr3+ and two equivalent Ni3+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Pr3+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.48 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six Pr3+, one Ni3+, and two equivalent Si4- atoms.},
doi = {10.17188/1751308},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}