Materials Data on Pr2NCl3 by Materials Project

doi:10.17188/1203028

Title: Materials Data on Pr2NCl3 by Materials Project

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Abstract

Pr2NCl3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four Cl1- atoms. Both Pr–N bond lengths are 2.35 Å. There are a spread of Pr–Cl bond distances ranging from 2.86–3.01 Å. N3- is bonded to four equivalent Pr3+ atoms to form distorted edge-sharing NPr4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Pr3+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four equivalent Pr3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-28969

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; Pr2NCl3; Cl-N-Pr

OSTI Identifier:: 1203028

DOI:: https://doi.org/10.17188/1203028

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                    The Materials Project. Materials Data on Pr2NCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203028.

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                    The Materials Project. Materials Data on Pr2NCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203028

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                    The Materials Project. 2020.  
"Materials Data on Pr2NCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203028.  https://www.osti.gov/servlets/purl/1203028. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1203028,

  title        = {Materials Data on Pr2NCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2NCl3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr3+ is bonded in a 2-coordinate geometry to two equivalent N3- and four Cl1- atoms. Both Pr–N bond lengths are 2.35 Å. There are a spread of Pr–Cl bond distances ranging from 2.86–3.01 Å. N3- is bonded to four equivalent Pr3+ atoms to form distorted edge-sharing NPr4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Pr3+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four equivalent Pr3+ atoms.},

  doi          = {10.17188/1203028},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203028

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