Materials Data on InH7N2OF4 by Materials Project

doi:10.17188/1286152

Title: Materials Data on InH7N2OF4 by Materials Project

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Abstract

NH2NH3InH2OF4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional and consists of four ammonia molecules, four ammonia molecules, and one InH2OF4 framework. In the InH2OF4 framework, In3+ is bonded to one O2- and six F1- atoms to form edge-sharing InOF6 pentagonal bipyramids. The In–O bond length is 2.20 Å. There are a spread of In–F bond distances ranging from 2.08–2.22 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to one O2- and one F1- atom. The H–O bond length is 1.00 Å. The H–F bond length is 1.56 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 0.99 Å. The H–F bond length is 1.61 Å. O2- is bonded in a distorted water-like geometry to one In3+ and two H1+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like geometry to two equivalent In3+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one In3+ and one H1+ atom. In the thirdmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-706283

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; InH7N2OF4; F-H-In-N-O

OSTI Identifier:: 1286152

DOI:: https://doi.org/10.17188/1286152

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                    The Materials Project. Materials Data on InH7N2OF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1286152.

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                    The Materials Project. Materials Data on InH7N2OF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1286152

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                    The Materials Project. 2020.  
"Materials Data on InH7N2OF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1286152.  https://www.osti.gov/servlets/purl/1286152. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1286152,

  title        = {Materials Data on InH7N2OF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NH2NH3InH2OF4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional and consists of four ammonia molecules, four ammonia molecules, and one InH2OF4 framework. In the InH2OF4 framework, In3+ is bonded to one O2- and six F1- atoms to form edge-sharing InOF6 pentagonal bipyramids. The In–O bond length is 2.20 Å. There are a spread of In–F bond distances ranging from 2.08–2.22 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to one O2- and one F1- atom. The H–O bond length is 1.00 Å. The H–F bond length is 1.56 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 0.99 Å. The H–F bond length is 1.61 Å. O2- is bonded in a distorted water-like geometry to one In3+ and two H1+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like geometry to two equivalent In3+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one In3+ and one H1+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one In3+ and one H1+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent In3+ atoms.},

  doi          = {10.17188/1286152},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1286152

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