Materials Data on RbEr3F10 by Materials Project

doi:10.17188/1269063

Title: Materials Data on RbEr3F10 by Materials Project

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Abstract

RbEr3F10 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted tetrahedral geometry to sixteen F1- atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.22 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to fifteen F1- atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.37 Å. There are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.20–2.37 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.21–2.36 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Rb1+ and two equivalent Er3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Rb1+ and two equivalent Er3+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-555932

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; RbEr3F10; Er-F-Rb

OSTI Identifier:: 1269063

DOI:: https://doi.org/10.17188/1269063

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                    The Materials Project. Materials Data on RbEr3F10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269063.

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                    The Materials Project. Materials Data on RbEr3F10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269063

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                    The Materials Project. 2020.  
"Materials Data on RbEr3F10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269063.  https://www.osti.gov/servlets/purl/1269063. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1269063,

  title        = {Materials Data on RbEr3F10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbEr3F10 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted tetrahedral geometry to sixteen F1- atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.22 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to fifteen F1- atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.37 Å. There are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.20–2.37 Å. In the second Er3+ site, Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.21–2.36 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Rb1+ and two equivalent Er3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two Rb1+ and two equivalent Er3+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Rb1+ and two Er3+ atoms. In the fourth F1- site, F1- is bonded to one Rb1+ and three Er3+ atoms to form a mixture of distorted edge and corner-sharing FRbEr3 tetrahedra. In the fifth F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent Er3+ atoms. In the sixth F1- site, F1- is bonded to one Rb1+ and three equivalent Er3+ atoms to form a mixture of distorted edge and corner-sharing FRbEr3 tetrahedra. In the seventh F1- site, F1- is bonded to one Rb1+ and three Er3+ atoms to form a mixture of distorted edge and corner-sharing FRbEr3 tetrahedra.},

  doi          = {10.17188/1269063},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1269063

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