Materials Data on Rb3YbN6 by Materials Project

doi:10.17188/1676211

Title: Materials Data on Rb3YbN6 by Materials Project

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Abstract

Rb3YbN6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of Rb–N bond distances ranging from 3.04–3.41 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of Rb–N bond distances ranging from 3.01–3.34 Å. In the third Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of Rb–N bond distances ranging from 2.92–3.44 Å. Yb3+ is bonded in an octahedral geometry to six N1- atoms. There are a spread of Yb–N bond distances ranging from 2.34–2.44 Å. There are six inequivalent N1- sites. In the first N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Yb3+ atom. In the second N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Yb3+ atom. In the third N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Yb3+ atom. In the fourth N1- site, N1- is bonded in a 1-coordinate geometrymore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1199062

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; Rb3YbN6; N-Rb-Yb

OSTI Identifier:: 1676211

DOI:: https://doi.org/10.17188/1676211

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                    The Materials Project. Materials Data on Rb3YbN6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1676211.

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                    The Materials Project. Materials Data on Rb3YbN6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676211

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                    The Materials Project. 2020.  
"Materials Data on Rb3YbN6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676211.  https://www.osti.gov/servlets/purl/1676211. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1676211,

  title        = {Materials Data on Rb3YbN6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3YbN6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of Rb–N bond distances ranging from 3.04–3.41 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of Rb–N bond distances ranging from 3.01–3.34 Å. In the third Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of Rb–N bond distances ranging from 2.92–3.44 Å. Yb3+ is bonded in an octahedral geometry to six N1- atoms. There are a spread of Yb–N bond distances ranging from 2.34–2.44 Å. There are six inequivalent N1- sites. In the first N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Yb3+ atom. In the second N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Yb3+ atom. In the third N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Yb3+ atom. In the fourth N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Yb3+ atom. In the fifth N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Yb3+ atom. In the sixth N1- site, N1- is bonded in a 1-coordinate geometry to four Rb1+ and one Yb3+ atom.},

  doi          = {10.17188/1676211},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1676211

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