Materials Data on Sr3RhF12 by Materials Project

doi:10.17188/1663789

Title: Materials Data on Sr3RhF12 by Materials Project

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Abstract

Sr3RhF12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 4-coordinate geometry to four equivalent F atoms. All Sr–F bond lengths are 2.46 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Sr–F bond distances ranging from 2.44–2.96 Å. Rh is bonded in a distorted body-centered cubic geometry to eight F atoms. There are four shorter (1.91 Å) and four longer (2.31 Å) Rh–F bond lengths. There are three inequivalent F sites. In the first F site, F is bonded in a distorted trigonal planar geometry to two Sr and one Rh atom. In the second F site, F is bonded in a 2-coordinate geometry to three equivalent Sr atoms. In the third F site, F is bonded in a single-bond geometry to one Rh atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1211210

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; Sr3RhF12; F-Rh-Sr

OSTI Identifier:: 1663789

DOI:: https://doi.org/10.17188/1663789

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                    The Materials Project. Materials Data on Sr3RhF12 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1663789.

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                    The Materials Project. Materials Data on Sr3RhF12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663789

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                    The Materials Project. 2019.  
"Materials Data on Sr3RhF12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663789.  https://www.osti.gov/servlets/purl/1663789. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1663789,

  title        = {Materials Data on Sr3RhF12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3RhF12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 4-coordinate geometry to four equivalent F atoms. All Sr–F bond lengths are 2.46 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Sr–F bond distances ranging from 2.44–2.96 Å. Rh is bonded in a distorted body-centered cubic geometry to eight F atoms. There are four shorter (1.91 Å) and four longer (2.31 Å) Rh–F bond lengths. There are three inequivalent F sites. In the first F site, F is bonded in a distorted trigonal planar geometry to two Sr and one Rh atom. In the second F site, F is bonded in a 2-coordinate geometry to three equivalent Sr atoms. In the third F site, F is bonded in a single-bond geometry to one Rh atom.},

  doi          = {10.17188/1663789},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1663789

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