Materials Data on Pr2Si3 by Materials Project

doi:10.17188/1745226

Title: Materials Data on Pr2Si3 by Materials Project

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Abstract

Pr2Si3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Pr–Si bond distances ranging from 3.06–3.25 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Pr–Si bond distances ranging from 3.10–3.23 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to six Pr and one Si atom. The Si–Si bond length is 2.35 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to six Pr and two equivalent Si atoms. Both Si–Si bond lengths are 2.41 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to six Pr and three Si atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1219840

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; Pr2Si3; Pr-Si

OSTI Identifier:: 1745226

DOI:: https://doi.org/10.17188/1745226

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                    The Materials Project. Materials Data on Pr2Si3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745226.

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                    The Materials Project. Materials Data on Pr2Si3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1745226

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                    The Materials Project. 2020.  
"Materials Data on Pr2Si3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1745226.  https://www.osti.gov/servlets/purl/1745226. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1745226,

  title        = {Materials Data on Pr2Si3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2Si3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Pr–Si bond distances ranging from 3.06–3.25 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Pr–Si bond distances ranging from 3.10–3.23 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to six Pr and one Si atom. The Si–Si bond length is 2.35 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to six Pr and two equivalent Si atoms. Both Si–Si bond lengths are 2.41 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to six Pr and three Si atoms.},

  doi          = {10.17188/1745226},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1745226

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