Materials Data on Rb2Tb3AlF16 by Materials Project

doi:10.17188/1271019

Title: Materials Data on Rb2Tb3AlF16 by Materials Project

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Abstract

Rb2AlTb3F16 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Rb–F bond distances ranging from 3.13–3.51 Å. Tb+3.67+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tb–F bond distances ranging from 2.26–2.37 Å. Al3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Al–F bond lengths are 1.83 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Tb+3.67+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Tb+3.67+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent Tb+3.67+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Tb+3.67+, and one Al3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-559737

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; Rb2Tb3AlF16; Al-F-Rb-Tb

OSTI Identifier:: 1271019

DOI:: https://doi.org/10.17188/1271019

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                    The Materials Project. Materials Data on Rb2Tb3AlF16 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1271019.

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                    The Materials Project. Materials Data on Rb2Tb3AlF16 by Materials Project.  United States.  doi:https://doi.org/10.17188/1271019

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                    The Materials Project. 2020.  
"Materials Data on Rb2Tb3AlF16 by Materials Project".  United States.  doi:https://doi.org/10.17188/1271019.  https://www.osti.gov/servlets/purl/1271019. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1271019,

  title        = {Materials Data on Rb2Tb3AlF16 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2AlTb3F16 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Rb–F bond distances ranging from 3.13–3.51 Å. Tb+3.67+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Tb–F bond distances ranging from 2.26–2.37 Å. Al3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All Al–F bond lengths are 1.83 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to three equivalent Tb+3.67+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Tb+3.67+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent Tb+3.67+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+, one Tb+3.67+, and one Al3+ atom.},

  doi          = {10.17188/1271019},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1271019

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