Materials Data on Sr(CdAs)2 by Materials Project

doi:10.17188/1304846

Title: Materials Data on Sr(CdAs)2 by Materials Project

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Abstract

Sr(CdAs)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent As3- atoms to form SrAs6 octahedra that share corners with twelve equivalent CdAs4 tetrahedra, edges with six equivalent SrAs6 octahedra, and edges with six equivalent CdAs4 tetrahedra. All Sr–As bond lengths are 3.21 Å. Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with six equivalent SrAs6 octahedra, corners with six equivalent CdAs4 tetrahedra, edges with three equivalent SrAs6 octahedra, and edges with three equivalent CdAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–54°. There are three shorter (2.76 Å) and one longer (2.87 Å) Cd–As bond lengths. As3- is bonded to three equivalent Sr2+ and four equivalent Cd2+ atoms to form a mixture of distorted corner and edge-sharing AsSr3Cd4 pentagonal bipyramids.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-7771

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; Sr(CdAs)2; As-Cd-Sr

OSTI Identifier:: 1304846

DOI:: https://doi.org/10.17188/1304846

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                    The Materials Project. Materials Data on Sr(CdAs)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1304846.

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                    The Materials Project. Materials Data on Sr(CdAs)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1304846

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                    The Materials Project. 2020.  
"Materials Data on Sr(CdAs)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1304846.  https://www.osti.gov/servlets/purl/1304846. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1304846,

  title        = {Materials Data on Sr(CdAs)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr(CdAs)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent As3- atoms to form SrAs6 octahedra that share corners with twelve equivalent CdAs4 tetrahedra, edges with six equivalent SrAs6 octahedra, and edges with six equivalent CdAs4 tetrahedra. All Sr–As bond lengths are 3.21 Å. Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with six equivalent SrAs6 octahedra, corners with six equivalent CdAs4 tetrahedra, edges with three equivalent SrAs6 octahedra, and edges with three equivalent CdAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–54°. There are three shorter (2.76 Å) and one longer (2.87 Å) Cd–As bond lengths. As3- is bonded to three equivalent Sr2+ and four equivalent Cd2+ atoms to form a mixture of distorted corner and edge-sharing AsSr3Cd4 pentagonal bipyramids.},

  doi          = {10.17188/1304846},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1304846

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