Materials Data on Pr3Si3Ni by Materials Project

doi:10.17188/1751308

Title: Materials Data on Pr3Si3Ni by Materials Project

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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 »« less

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1219833

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Pr3Si3Ni; Ni-Pr-Si

OSTI Identifier:: 1751308

DOI:: https://doi.org/10.17188/1751308

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                    The Materials Project. Materials Data on Pr3Si3Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751308.

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                    The Materials Project. Materials Data on Pr3Si3Ni by Materials Project.  United States.  doi:https://doi.org/10.17188/1751308

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1751308

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