Materials Data on Rb2Ni(SO7)2 by Materials Project

doi:10.17188/1664982

Title: Materials Data on Rb2Ni(SO7)2 by Materials Project

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Abstract

Rb2Ni(SO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.38 Å. Ni is bonded in a distorted octahedral geometry to six O atoms. There is four shorter (1.82 Å) and two longer (1.83 Å) Ni–O bond length. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.52 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to one Rb and one S atom. In the third O site, O is bonded in a single-bond geometry to two equivalent Rb and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one Rb and one Ni atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Rb and one S atom. In the sixth O site, O is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1209857

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; Rb2Ni(SO7)2; Ni-O-Rb-S

OSTI Identifier:: 1664982

DOI:: https://doi.org/10.17188/1664982

Citation Formats


                    The Materials Project. Materials Data on Rb2Ni(SO7)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1664982.

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                    The Materials Project. Materials Data on Rb2Ni(SO7)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1664982

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                    The Materials Project. 2019.  
"Materials Data on Rb2Ni(SO7)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1664982.  https://www.osti.gov/servlets/purl/1664982. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1664982,

  title        = {Materials Data on Rb2Ni(SO7)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2Ni(SO7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.38 Å. Ni is bonded in a distorted octahedral geometry to six O atoms. There is four shorter (1.82 Å) and two longer (1.83 Å) Ni–O bond length. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.52 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to one Rb and one S atom. In the third O site, O is bonded in a single-bond geometry to two equivalent Rb and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one Rb and one Ni atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Rb and one S atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Rb and one Ni atom. In the seventh O site, O is bonded in a single-bond geometry to one Ni atom.},

  doi          = {10.17188/1664982},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1664982

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