Materials Data on Na3CeF7 by Materials Project

doi:10.17188/1207470

Title: Materials Data on Na3CeF7 by Materials Project

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Abstract

Na3CeF7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.36–2.57 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.31–2.75 Å. Ce4+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of Ce–F bond distances ranging from 2.21–2.27 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded to three Na1+ and one Ce4+ atom to form a mixture of distorted edge and corner-sharing FNa3Ce trigonal pyramids. In the second F1- site, F1- is bonded to three Na1+ and one Ce4+ atom to form a mixture of edge and corner-sharing FNa3Ce tetrahedra. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three Na1+ and one Ce4+ atom. In the fourth F1- site, F1- is bonded to three Na1+ and one Ce4+ atom to form a mixture of edge and corner-sharing FNa3Cemore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1207470

Report Number(s):: mp-38102

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; Na3CeF7; Ce-F-Na

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                    The Materials Project. Materials Data on Na3CeF7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207470.

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                    The Materials Project. Materials Data on Na3CeF7 by Materials Project.  United States.  https://doi.org/10.17188/1207470

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                    The Materials Project. 2020.  
        "Materials Data on Na3CeF7 by Materials Project".  United States.  https://doi.org/10.17188/1207470.  https://www.osti.gov/servlets/purl/1207470.

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@article{osti_1207470,

  title        = {Materials Data on Na3CeF7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na3CeF7 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.36–2.57 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Na–F bond distances ranging from 2.31–2.75 Å. Ce4+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of Ce–F bond distances ranging from 2.21–2.27 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded to three Na1+ and one Ce4+ atom to form a mixture of distorted edge and corner-sharing FNa3Ce trigonal pyramids. In the second F1- site, F1- is bonded to three Na1+ and one Ce4+ atom to form a mixture of edge and corner-sharing FNa3Ce tetrahedra. In the third F1- site, F1- is bonded in a 4-coordinate geometry to three Na1+ and one Ce4+ atom. In the fourth F1- site, F1- is bonded to three Na1+ and one Ce4+ atom to form a mixture of edge and corner-sharing FNa3Ce tetrahedra. In the fifth F1- site, F1- is bonded to three Na1+ and one Ce4+ atom to form a mixture of edge and corner-sharing FNa3Ce tetrahedra.},

  doi          = {10.17188/1207470},

  url          = {https://www.osti.gov/biblio/1207470},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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