Materials Data on SrAs3 by Materials Project

doi:10.17188/1316967

Title: Materials Data on SrAs3 by Materials Project

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Abstract

SrAs3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine As+0.67- atoms. There are a spread of Sr–As bond distances ranging from 3.15–3.54 Å. There are two inequivalent As+0.67- sites. In the first As+0.67- site, As+0.67- is bonded in a 6-coordinate geometry to four equivalent Sr2+ and two As+0.67- atoms. There are one shorter (2.48 Å) and one longer (2.51 Å) As–As bond lengths. In the second As+0.67- site, As+0.67- is bonded in a distorted tetrahedral geometry to one Sr2+ and three As+0.67- atoms. The As–As bond length is 2.52 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-9907

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; SrAs3; As-Sr

OSTI Identifier:: 1316967

DOI:: https://doi.org/10.17188/1316967

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                    The Materials Project. Materials Data on SrAs3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316967.

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                    The Materials Project. Materials Data on SrAs3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316967

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                    The Materials Project. 2020.  
"Materials Data on SrAs3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316967.  https://www.osti.gov/servlets/purl/1316967. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1316967,

  title        = {Materials Data on SrAs3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrAs3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine As+0.67- atoms. There are a spread of Sr–As bond distances ranging from 3.15–3.54 Å. There are two inequivalent As+0.67- sites. In the first As+0.67- site, As+0.67- is bonded in a 6-coordinate geometry to four equivalent Sr2+ and two As+0.67- atoms. There are one shorter (2.48 Å) and one longer (2.51 Å) As–As bond lengths. In the second As+0.67- site, As+0.67- is bonded in a distorted tetrahedral geometry to one Sr2+ and three As+0.67- atoms. The As–As bond length is 2.52 Å.},

  doi          = {10.17188/1316967},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316967

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