Materials Data on Sr2CuWO6 by Materials Project

doi:10.17188/1262878

Title: Materials Data on Sr2CuWO6 by Materials Project

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Abstract

Sr2CuWO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.66 Å) and four longer (2.74 Å) Sr–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–24°. There is four shorter (1.95 Å) and two longer (1.96 Å) W–O bond length. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–24°. There are four shorter (2.00 Å) and two longer (2.40 Å) Cu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one W6+, and one Cu2+ atom. In the second O2- site, O2- is bonded to four equivalent Sr2+, one W6+, and one Cu2+ atom to form a mixture of distorted corner and edge-sharing OSr4CuW octahedra. The corner-sharing octahedra tilt angles range from 0–9°.

Authors:: The Materials Project

Publication Date:: Fri May 29 00:00:00 EDT 2020

Other Number(s):: mp-510294

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; Sr2CuWO6; Cu-O-Sr-W

OSTI Identifier:: 1262878

DOI:: https://doi.org/10.17188/1262878

Citation Formats


                    The Materials Project. Materials Data on Sr2CuWO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262878.

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                    The Materials Project. Materials Data on Sr2CuWO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262878

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                    The Materials Project. 2020.  
"Materials Data on Sr2CuWO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262878.  https://www.osti.gov/servlets/purl/1262878. Pub date:Fri May 29 00:00:00 EDT 2020

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@article{osti_1262878,

  title        = {Materials Data on Sr2CuWO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2CuWO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.66 Å) and four longer (2.74 Å) Sr–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–24°. There is four shorter (1.95 Å) and two longer (1.96 Å) W–O bond length. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–24°. There are four shorter (2.00 Å) and two longer (2.40 Å) Cu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one W6+, and one Cu2+ atom. In the second O2- site, O2- is bonded to four equivalent Sr2+, one W6+, and one Cu2+ atom to form a mixture of distorted corner and edge-sharing OSr4CuW octahedra. The corner-sharing octahedra tilt angles range from 0–9°.},

  doi          = {10.17188/1262878},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 29 00:00:00 EDT 2020},

  month        = {Fri May 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262878

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