Materials Data on SrCu(TeO3)2 by Materials Project

doi:10.17188/1270104

Title: Materials Data on SrCu(TeO3)2 by Materials Project

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Abstract

SrCu(TeO3)2 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.13 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Sr–O bond lengths are 2.54 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.97 Å) Cu–O bond length. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.87 Å) and two longer (1.94 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and one Te4+ atom. In the second O2- site, O2- is bonded to two Sr2+, one Cu2+, and one Te4+ atom to form a mixture of distorted corner and edge-sharing OSr2CuTe tetrahedra. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sr2+ and one Te4+ atom.

Authors:: The Materials Project

Publication Date:: Fri Jan 30 00:00:00 EST 2015

Other Number(s):: mp-557970

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; SrCu(TeO3)2; Cu-O-Sr-Te

OSTI Identifier:: 1270104

DOI:: https://doi.org/10.17188/1270104

Citation Formats


                    The Materials Project. Materials Data on SrCu(TeO3)2 by Materials Project.  United States: N. p., 2015. 
        Web.  doi:10.17188/1270104.

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                    The Materials Project. Materials Data on SrCu(TeO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270104

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                    The Materials Project. 2015.  
"Materials Data on SrCu(TeO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270104.  https://www.osti.gov/servlets/purl/1270104. Pub date:Fri Jan 30 00:00:00 EST 2015

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@article{osti_1270104,

  title        = {Materials Data on SrCu(TeO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrCu(TeO3)2 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–3.13 Å. In the second Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Sr–O bond lengths are 2.54 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.94 Å) and two longer (1.97 Å) Cu–O bond length. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.87 Å) and two longer (1.94 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+ and one Te4+ atom. In the second O2- site, O2- is bonded to two Sr2+, one Cu2+, and one Te4+ atom to form a mixture of distorted corner and edge-sharing OSr2CuTe tetrahedra. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sr2+ and one Te4+ atom.},

  doi          = {10.17188/1270104},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 30 00:00:00 EST 2015},

  month        = {Fri Jan 30 00:00:00 EST 2015}

}

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DOI: https://doi.org/10.17188/1270104

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