Materials Data on YAsS by Materials Project

doi:10.17188/1687989

Title: Materials Data on YAsS by Materials Project

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Abstract

YSAs is Matlockite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. There are a spread of Y–As bond distances ranging from 3.12–3.19 Å. There are a spread of Y–S bond distances ranging from 2.80–2.86 Å. As1- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent As1- atoms. There are a spread of As–As bond distances ranging from 2.54–2.91 Å. S2- is bonded to five equivalent Y3+ atoms to form a mixture of distorted edge and corner-sharing SY5 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1102959

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; YAsS; As-S-Y

OSTI Identifier:: 1687989

DOI:: https://doi.org/10.17188/1687989

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                    The Materials Project. Materials Data on YAsS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687989.

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                    The Materials Project. Materials Data on YAsS by Materials Project.  United States.  doi:https://doi.org/10.17188/1687989

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                    The Materials Project. 2020.  
"Materials Data on YAsS by Materials Project".  United States.  doi:https://doi.org/10.17188/1687989.  https://www.osti.gov/servlets/purl/1687989. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1687989,

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

  author       = {The Materials Project},

  abstractNote = {YSAs is Matlockite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. There are a spread of Y–As bond distances ranging from 3.12–3.19 Å. There are a spread of Y–S bond distances ranging from 2.80–2.86 Å. As1- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent As1- atoms. There are a spread of As–As bond distances ranging from 2.54–2.91 Å. S2- is bonded to five equivalent Y3+ atoms to form a mixture of distorted edge and corner-sharing SY5 trigonal bipyramids.},

  doi          = {10.17188/1687989},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1687989

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