Materials Data on Sr2InF7 by Materials Project

doi:10.17188/1190593

Title: Materials Data on Sr2InF7 by Materials Project

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Abstract

Sr2InF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–2.73 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–2.71 Å. In3+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of In–F bond distances ranging from 2.13–2.23 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of edge and corner-sharing FSr3In tetrahedra. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one In3+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one In3+ atom. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one In3+ atom. In the fifth F1- site, F1- is bonded to three Sr2+more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-14283

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; Sr2InF7; F-In-Sr

OSTI Identifier:: 1190593

DOI:: https://doi.org/10.17188/1190593

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                    The Materials Project. Materials Data on Sr2InF7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190593.

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                    The Materials Project. Materials Data on Sr2InF7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190593

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                    The Materials Project. 2020.  
"Materials Data on Sr2InF7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190593.  https://www.osti.gov/servlets/purl/1190593. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1190593,

  title        = {Materials Data on Sr2InF7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2InF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–2.73 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–2.71 Å. In3+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There are a spread of In–F bond distances ranging from 2.13–2.23 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of edge and corner-sharing FSr3In tetrahedra. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one In3+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two Sr2+ and one In3+ atom. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two Sr2+ and one In3+ atom. In the fifth F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of distorted edge and corner-sharing FSr3In tetrahedra. In the sixth F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of distorted edge and corner-sharing FSr3In tetrahedra. In the seventh F1- site, F1- is bonded to three Sr2+ and one In3+ atom to form a mixture of edge and corner-sharing FSr3In tetrahedra.},

  doi          = {10.17188/1190593},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1190593

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