Materials Data on Sr2EuNb(CuO4)2 by Materials Project

doi:10.17188/1192164

Title: Materials Data on Sr2EuNb(CuO4)2 by Materials Project

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Abstract

Sr2EuNb(CuO4)2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.76–2.80 Å. Eu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.49 Å) and four longer (2.51 Å) Eu–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra and corners with two equivalent CuO5 square pyramids. The corner-sharing octahedral tilt angles are 31°. There are two shorter (1.98 Å) and four longer (2.02 Å) Nb–O bond lengths. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share a cornercorner with one NbO6 octahedra and corners with four equivalent CuO5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.95 Å) and one longer (2.25 Å) Cu–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+, one Nb5+, and one Cu2+ atom. In the second O2- site, O2- is bonded in a distorted bentmore »« less

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-16786

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; Sr2EuNb(CuO4)2; Cu-Eu-Nb-O-Sr

OSTI Identifier:: 1192164

DOI:: https://doi.org/10.17188/1192164

Citation Formats


                    The Materials Project. Materials Data on Sr2EuNb(CuO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192164.

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                    The Materials Project. Materials Data on Sr2EuNb(CuO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192164

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                    The Materials Project. 2020.  
"Materials Data on Sr2EuNb(CuO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192164.  https://www.osti.gov/servlets/purl/1192164. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1192164,

  title        = {Materials Data on Sr2EuNb(CuO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2EuNb(CuO4)2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr2+ is bonded in a distorted q6 geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.76–2.80 Å. Eu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.49 Å) and four longer (2.51 Å) Eu–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with four equivalent NbO6 octahedra and corners with two equivalent CuO5 square pyramids. The corner-sharing octahedral tilt angles are 31°. There are two shorter (1.98 Å) and four longer (2.02 Å) Nb–O bond lengths. Cu2+ is bonded to five O2- atoms to form CuO5 square pyramids that share a cornercorner with one NbO6 octahedra and corners with four equivalent CuO5 square pyramids. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.95 Å) and one longer (2.25 Å) Cu–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+, one Nb5+, and one Cu2+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Sr2+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Cu2+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr2Eu2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–67°.},

  doi          = {10.17188/1192164},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192164

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