Materials Data on RbUF5 by Materials Project

doi:10.17188/1672180

Title: Materials Data on RbUF5 by Materials Project

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Abstract

RbUF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.84–3.22 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.41 Å. There are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.16–2.71 Å. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of U–F bond distances ranging from 2.17–2.47 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent U4+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Rb1+ and two U4+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to one Rb1+ and threemore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1194637

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; RbUF5; F-Rb-U

OSTI Identifier:: 1672180

DOI:: https://doi.org/10.17188/1672180

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                    The Materials Project. Materials Data on RbUF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1672180.

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                    The Materials Project. Materials Data on RbUF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672180

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                    The Materials Project. 2020.  
"Materials Data on RbUF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672180.  https://www.osti.gov/servlets/purl/1672180. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1672180,

  title        = {Materials Data on RbUF5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbUF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.84–3.22 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.41 Å. There are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.16–2.71 Å. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of U–F bond distances ranging from 2.17–2.47 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent U4+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Rb1+ and two U4+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to one Rb1+ and three U4+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to three Rb1+ and one U4+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one Rb1+ and two U4+ atoms. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to three Rb1+ and one U4+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to four Rb1+ and one U4+ atom. In the eighth F1- site, F1- is bonded in a 3-coordinate geometry to one Rb1+ and two equivalent U4+ atoms. In the ninth F1- site, F1- is bonded in a linear geometry to two U4+ atoms. In the tenth F1- site, F1- is bonded in a 1-coordinate geometry to three Rb1+ and one U4+ atom.},

  doi          = {10.17188/1672180},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1672180

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