Materials Data on Sr2CaWO6 by Materials Project

doi:10.17188/1751322

Title: Materials Data on Sr2CaWO6 by Materials Project

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Abstract

Sr2CaWO6 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 (2.61 Å) and four longer (2.92 Å) Sr–O bond lengths. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. There are two shorter (2.27 Å) and four longer (2.31 Å) Ca–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. All W–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Ca2+, and one W6+ atom to form a mixture of distorted edge and corner-sharing OSr2CaW tetrahedra. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Ca2+, and one W6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1078671

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; Sr2CaWO6; Ca-O-Sr-W

OSTI Identifier:: 1751322

DOI:: https://doi.org/10.17188/1751322

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                    The Materials Project. Materials Data on Sr2CaWO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751322.

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                    The Materials Project. Materials Data on Sr2CaWO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751322

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                    The Materials Project. 2020.  
"Materials Data on Sr2CaWO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751322.  https://www.osti.gov/servlets/purl/1751322. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1751322,

  title        = {Materials Data on Sr2CaWO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2CaWO6 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 (2.61 Å) and four longer (2.92 Å) Sr–O bond lengths. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. There are two shorter (2.27 Å) and four longer (2.31 Å) Ca–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. All W–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Ca2+, and one W6+ atom to form a mixture of distorted edge and corner-sharing OSr2CaW tetrahedra. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Ca2+, and one W6+ atom.},

  doi          = {10.17188/1751322},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751322

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