Materials Data on SiAs3 by Materials Project

doi:10.17188/1315969

Title: Materials Data on SiAs3 by Materials Project

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Abstract

SiAs3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Si4+ is bonded to twelve equivalent As+1.33- atoms to form a mixture of distorted corner and face-sharing SiAs12 cuboctahedra. There are six shorter (2.98 Å) and six longer (2.99 Å) Si–As bond lengths. As+1.33- is bonded in a 6-coordinate geometry to four equivalent Si4+ and two equivalent As+1.33- atoms. Both As–As bond lengths are 2.61 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-978567

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; SiAs3; As-Si

OSTI Identifier:: 1315969

DOI:: https://doi.org/10.17188/1315969

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                    The Materials Project. Materials Data on SiAs3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315969.

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                    The Materials Project. Materials Data on SiAs3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1315969

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                    The Materials Project. 2020.  
"Materials Data on SiAs3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1315969.  https://www.osti.gov/servlets/purl/1315969. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1315969,

  title        = {Materials Data on SiAs3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SiAs3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Si4+ is bonded to twelve equivalent As+1.33- atoms to form a mixture of distorted corner and face-sharing SiAs12 cuboctahedra. There are six shorter (2.98 Å) and six longer (2.99 Å) Si–As bond lengths. As+1.33- is bonded in a 6-coordinate geometry to four equivalent Si4+ and two equivalent As+1.33- atoms. Both As–As bond lengths are 2.61 Å.},

  doi          = {10.17188/1315969},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1315969

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