Materials Data on Rb5NO5 by Materials Project

doi:10.17188/1282966

Title: Materials Data on Rb5NO5 by Materials Project

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Abstract

Rb5NO5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Rb5NO5 sheet oriented in the (0, 0, 1) direction. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. There are a spread of Rb–O bond distances ranging from 2.72–2.93 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. There are a spread of Rb–O bond distances ranging from 2.69–2.92 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.29 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.31 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.63 Å. N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.27 Å. There are fivemore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-676229

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; Rb5NO5; N-O-Rb

OSTI Identifier:: 1282966

DOI:: https://doi.org/10.17188/1282966

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                    The Materials Project. Materials Data on Rb5NO5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282966.

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                    The Materials Project. Materials Data on Rb5NO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282966

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                    The Materials Project. 2020.  
"Materials Data on Rb5NO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282966.  https://www.osti.gov/servlets/purl/1282966. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1282966,

  title        = {Materials Data on Rb5NO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb5NO5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Rb5NO5 sheet oriented in the (0, 0, 1) direction. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. There are a spread of Rb–O bond distances ranging from 2.72–2.93 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. There are a spread of Rb–O bond distances ranging from 2.69–2.92 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.29 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.31 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.90–3.63 Å. N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.27 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one N5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to five Rb1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to five Rb1+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to five Rb1+ atoms.},

  doi          = {10.17188/1282966},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1282966

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