Materials Data on Sr3CdO4 by Materials Project

doi:10.17188/1316306

Title: Materials Data on Sr3CdO4 by Materials Project

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Abstract

Sr3CdO4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent SrO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–O bond lengths are 2.55 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent CdO6 octahedra and edges with twelve equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–O bond lengths are 2.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Sr2+ atoms to form OSr6 octahedra that share corners with six equivalent OSr6 octahedra and edges with twelve OSr4Cd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cd2+ atoms to form OSr4Cd2 octahedra that share corners with six equivalent OSr4Cd2 octahedra and edges with twelve OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded to four equivalent Sr2+more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-981103

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; Sr3CdO4; Cd-O-Sr

OSTI Identifier:: 1316306

DOI:: https://doi.org/10.17188/1316306

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                    The Materials Project. Materials Data on Sr3CdO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316306.

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                    The Materials Project. Materials Data on Sr3CdO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316306

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                    The Materials Project. 2020.  
"Materials Data on Sr3CdO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316306.  https://www.osti.gov/servlets/purl/1316306. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1316306,

  title        = {Materials Data on Sr3CdO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3CdO4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to six O2- atoms to form SrO6 octahedra that share corners with six equivalent SrO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–O bond lengths are 2.55 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent CdO6 octahedra and edges with twelve equivalent SrO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–O bond lengths are 2.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Sr2+ atoms to form OSr6 octahedra that share corners with six equivalent OSr6 octahedra and edges with twelve OSr4Cd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cd2+ atoms to form OSr4Cd2 octahedra that share corners with six equivalent OSr4Cd2 octahedra and edges with twelve OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cd2+ atoms to form OSr4Cd2 octahedra that share corners with six equivalent OSr4Cd2 octahedra and edges with twelve OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Sr bond lengths are 2.55 Å. In the fourth O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Cd2+ atoms to form OSr4Cd2 octahedra that share corners with six equivalent OSr4Cd2 octahedra and edges with twelve OSr6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1316306},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316306

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