Materials Data on K2NbF7 by Materials Project

doi:10.17188/1208382

Title: Materials Data on K2NbF7 by Materials Project

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Abstract

K2NbF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.70–3.01 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.69–2.97 Å. Nb5+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of Nb–F bond distances ranging from 1.97–2.02 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Nb5+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Nb5+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two K1+ and one Nb5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two K1+ and one Nb5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two K1+ and onemore »« less

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-4758

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; K2NbF7; F-K-Nb

OSTI Identifier:: 1208382

DOI:: https://doi.org/10.17188/1208382

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                    The Materials Project. Materials Data on K2NbF7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1208382.

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                    The Materials Project. Materials Data on K2NbF7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208382

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                    The Materials Project. 2020.  
"Materials Data on K2NbF7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208382.  https://www.osti.gov/servlets/purl/1208382. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1208382,

  title        = {Materials Data on K2NbF7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2NbF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.70–3.01 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.69–2.97 Å. Nb5+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of Nb–F bond distances ranging from 1.97–2.02 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Nb5+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Nb5+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two K1+ and one Nb5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two K1+ and one Nb5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two K1+ and one Nb5+ atom. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to three K1+ and one Nb5+ atom. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to three K1+ and one Nb5+ atom.},

  doi          = {10.17188/1208382},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1208382

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