Materials Data on Sr2LaGaCu2O7 by Materials Project

doi:10.17188/1265049

Title: Materials Data on Sr2LaGaCu2O7 by Materials Project

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Abstract

Sr2LaCu2GaO7 crystallizes in the orthorhombic Ima2 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 2.49–3.01 Å. La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.50–2.56 Å. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with four equivalent CuO5 square pyramids and a cornercorner with one GaO4 tetrahedra. There are a spread of Cu–O bond distances ranging from 1.97–2.38 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent CuO5 square pyramids and corners with two equivalent GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.85–1.92 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+, one Cu2+, and one Ga3+ atom. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Ga3+ atoms to form distorted OSr2Ga2 tetrahedra that share corners with eight OSr2La2Cu2 octahedra and corners with two equivalentmore »« less

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-541332

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; Sr2LaGaCu2O7; Cu-Ga-La-O-Sr

OSTI Identifier:: 1265049

DOI:: https://doi.org/10.17188/1265049

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                    The Materials Project. Materials Data on Sr2LaGaCu2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1265049.

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                    The Materials Project. Materials Data on Sr2LaGaCu2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1265049

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                    The Materials Project. 2020.  
"Materials Data on Sr2LaGaCu2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1265049.  https://www.osti.gov/servlets/purl/1265049. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1265049,

  title        = {Materials Data on Sr2LaGaCu2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2LaCu2GaO7 crystallizes in the orthorhombic Ima2 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 2.49–3.01 Å. La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.50–2.56 Å. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with four equivalent CuO5 square pyramids and a cornercorner with one GaO4 tetrahedra. There are a spread of Cu–O bond distances ranging from 1.97–2.38 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent CuO5 square pyramids and corners with two equivalent GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.85–1.92 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+, one Cu2+, and one Ga3+ atom. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Ga3+ atoms to form distorted OSr2Ga2 tetrahedra that share corners with eight OSr2La2Cu2 octahedra and corners with two equivalent OSr2Ga2 tetrahedra. The corner-sharing octahedra tilt angles range from 18–72°. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Cu2+ atoms to form distorted OSr2La2Cu2 octahedra that share corners with eight OSr2La2Cu2 octahedra, corners with two equivalent OSr2Ga2 tetrahedra, edges with three equivalent OSr2La2Cu2 octahedra, and faces with four OSr2La2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–68°. In the fourth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Cu2+ atoms to form distorted OSr2La2Cu2 octahedra that share corners with eight OSr2La2Cu2 octahedra, corners with two equivalent OSr2Ga2 tetrahedra, edges with three equivalent OSr2La2Cu2 octahedra, and faces with four OSr2La2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–68°.},

  doi          = {10.17188/1265049},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1265049

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