Materials Data on SrPrGa3O7 by Materials Project

doi:10.17188/1715054

Title: Materials Data on SrPrGa3O7 by Materials Project

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Abstract

SrPrGa3O7 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.99 Å. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.42–2.93 Å. There are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form distorted corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.82–1.88 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.81–1.89 Å. In the third Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There is two shorter (1.85 Å) and two longer (1.87 Å) Ga–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Ga3+ atoms to form distorted OSr2Ga2 tetrahedra that share corners with four OSrPr2Ga tetrahedra and edges with two equivalent OSr2PrGa tetrahedra. In the second O2-more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-1218050

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; SrPrGa3O7; Ga-O-Pr-Sr

OSTI Identifier:: 1715054

DOI:: https://doi.org/10.17188/1715054

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                    The Materials Project. Materials Data on SrPrGa3O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1715054.

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                    The Materials Project. Materials Data on SrPrGa3O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1715054

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                    The Materials Project. 2020.  
"Materials Data on SrPrGa3O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1715054.  https://www.osti.gov/servlets/purl/1715054. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1715054,

  title        = {Materials Data on SrPrGa3O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrPrGa3O7 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.99 Å. Pr3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pr–O bond distances ranging from 2.42–2.93 Å. There are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form distorted corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.82–1.88 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.81–1.89 Å. In the third Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There is two shorter (1.85 Å) and two longer (1.87 Å) Ga–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Ga3+ atoms to form distorted OSr2Ga2 tetrahedra that share corners with four OSrPr2Ga tetrahedra and edges with two equivalent OSr2PrGa tetrahedra. In the second O2- site, O2- is bonded to two equivalent Pr3+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing OPr2Ga2 tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one Pr3+, and two Ga3+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, one Pr3+, and two Ga3+ atoms. In the fifth O2- site, O2- is bonded to one Sr2+, two equivalent Pr3+, and one Ga3+ atom to form distorted OSrPr2Ga tetrahedra that share corners with six OSr2Ga2 tetrahedra and edges with two OPr2Ga2 tetrahedra. In the sixth O2- site, O2- is bonded to two equivalent Sr2+, one Pr3+, and one Ga3+ atom to form a mixture of distorted edge and corner-sharing OSr2PrGa tetrahedra.},

  doi          = {10.17188/1715054},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1715054

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