Materials Data on RbIn(PO4)2 by Materials Project

doi:10.17188/1758783

Title: Materials Data on RbIn(PO4)2 by Materials Project

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Abstract

RbIn(PO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.27 Å. In is bonded to six O atoms to form InO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.16–2.22 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 39–49°. There is two shorter (1.54 Å) and two longer (1.56 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 38–44°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent Rb, one In, and one P atom. In the second O site, O is bonded in a 1-coordinatemore »« less

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1203914

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; In-O-P-Rb; RbIn(PO4)2; crystal structure

OSTI Identifier:: 1758783

DOI:: https://doi.org/10.17188/1758783

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                    Materials Data on RbIn(PO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758783.

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                    Materials Data on RbIn(PO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758783

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                    2020.  
"Materials Data on RbIn(PO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758783.  https://www.osti.gov/servlets/purl/1758783. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758783,

  title        = {Materials Data on RbIn(PO4)2 by Materials Project},

  
  abstractNote = {RbIn(PO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.27 Å. In is bonded to six O atoms to form InO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.16–2.22 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 39–49°. There is two shorter (1.54 Å) and two longer (1.56 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 38–44°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two equivalent Rb, one In, and one P atom. In the second O site, O is bonded in a 1-coordinate geometry to one Rb, one In, and one P atom. In the third O site, O is bonded in a 2-coordinate geometry to one Rb, one In, and one P atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom. In the fifth O site, O is bonded in a 3-coordinate geometry to one Rb, one In, and one P atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Rb, one In, and one P atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one In and one P atom. In the eighth O site, O is bonded in a single-bond geometry to one Rb and one P atom.},

  doi          = {10.17188/1758783},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1758783

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