Materials Data on NdNO5 by Materials Project

doi:10.17188/1731261

Title: Materials Data on NdNO5 by Materials Project

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Abstract

NdNO5 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one NdNO5 sheet oriented in the (0, 0, 1) direction. Nd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.56 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.21–1.33 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to three equivalent Nd atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to three equivalent Nd atoms. In the third O site, O is bonded in a 1-coordinate geometry to two equivalent Nd and one N atom. In the fourth O site, O is bonded in a distorted water-like geometry to one Nd and one N atom. In the fifth O site, O is bonded in a single-bond geometry to one N atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 18 00:00:00 EDT 2018

Other Number(s):: mp-1104288

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; NdNO5; N-Nd-O

OSTI Identifier:: 1731261

DOI:: https://doi.org/10.17188/1731261

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                    The Materials Project. Materials Data on NdNO5 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1731261.

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                    The Materials Project. Materials Data on NdNO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1731261

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                    The Materials Project. 2018.  
"Materials Data on NdNO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1731261.  https://www.osti.gov/servlets/purl/1731261. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1731261,

  title        = {Materials Data on NdNO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdNO5 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one NdNO5 sheet oriented in the (0, 0, 1) direction. Nd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.56 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.21–1.33 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to three equivalent Nd atoms. In the second O site, O is bonded in a distorted trigonal planar geometry to three equivalent Nd atoms. In the third O site, O is bonded in a 1-coordinate geometry to two equivalent Nd and one N atom. In the fourth O site, O is bonded in a distorted water-like geometry to one Nd and one N atom. In the fifth O site, O is bonded in a single-bond geometry to one N atom.},

  doi          = {10.17188/1731261},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 18 00:00:00 EDT 2018},

  month        = {Wed Jul 18 00:00:00 EDT 2018}

}

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DOI: https://doi.org/10.17188/1731261

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