Materials Data on Pr(NO5)3 by Materials Project

doi:10.17188/1318243

Title: Materials Data on Pr(NO5)3 by Materials Project

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Abstract

Pr(NO4)2NO3(O2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules, two nitric acid molecules, and two Pr(NO4)2 clusters. In each Pr(NO4)2 cluster, Pr is bonded in a 1-coordinate geometry to one N and four O atoms. The Pr–N bond length is 2.10 Å. There are a spread of Pr–O bond distances ranging from 1.91–2.92 Å. There are two inequivalent N sites. In the first N site, N is bonded in a 3-coordinate geometry to three O atoms. There are a spread of N–O bond distances ranging from 0.89–1.46 Å. In the second N site, N is bonded in a distorted rectangular see-saw-like geometry to one Pr and three O atoms. There are a spread of N–O bond distances ranging from 0.88–1.83 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted L-shaped geometry to one Pr and one O atom. The O–O bond length is 0.99 Å. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and onemore »« less

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1006616

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; Pr(NO5)3; N-O-Pr

OSTI Identifier:: 1318243

DOI:: https://doi.org/10.17188/1318243

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                    The Materials Project. Materials Data on Pr(NO5)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1318243.

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                    The Materials Project. Materials Data on Pr(NO5)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1318243

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                    The Materials Project. 2019.  
"Materials Data on Pr(NO5)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1318243.  https://www.osti.gov/servlets/purl/1318243. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1318243,

  title        = {Materials Data on Pr(NO5)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr(NO4)2NO3(O2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four hydrogen peroxide molecules, two nitric acid molecules, and two Pr(NO4)2 clusters. In each Pr(NO4)2 cluster, Pr is bonded in a 1-coordinate geometry to one N and four O atoms. The Pr–N bond length is 2.10 Å. There are a spread of Pr–O bond distances ranging from 1.91–2.92 Å. There are two inequivalent N sites. In the first N site, N is bonded in a 3-coordinate geometry to three O atoms. There are a spread of N–O bond distances ranging from 0.89–1.46 Å. In the second N site, N is bonded in a distorted rectangular see-saw-like geometry to one Pr and three O atoms. There are a spread of N–O bond distances ranging from 0.88–1.83 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted L-shaped geometry to one Pr and one O atom. The O–O bond length is 0.99 Å. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one N atom. In the sixth O site, O is bonded in a single-bond geometry to one N atom. In the seventh O site, O is bonded in a 1-coordinate geometry to one Pr and one N atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one Pr and one O atom.},

  doi          = {10.17188/1318243},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1318243

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