Materials Data on YSe2 by Materials Project

doi:10.17188/1709825

Title: Materials Data on YSe2 by Materials Project

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Abstract

YSe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight Se+1.50- atoms. There are a spread of Y–Se bond distances ranging from 2.80–3.12 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded to four equivalent Y3+ atoms to form a mixture of distorted edge and corner-sharing SeY4 trigonal pyramids. In the second Se+1.50- site, Se+1.50- is bonded in a 5-coordinate geometry to four equivalent Y3+ and one Se+1.50- atom. The Se–Se bond length is 2.42 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-1232213

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; YSe2; Se-Y

OSTI Identifier:: 1709825

DOI:: https://doi.org/10.17188/1709825

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                    The Materials Project. Materials Data on YSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1709825.

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                    The Materials Project. Materials Data on YSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1709825

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                    The Materials Project. 2020.  
"Materials Data on YSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1709825.  https://www.osti.gov/servlets/purl/1709825. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1709825,

  title        = {Materials Data on YSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YSe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight Se+1.50- atoms. There are a spread of Y–Se bond distances ranging from 2.80–3.12 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded to four equivalent Y3+ atoms to form a mixture of distorted edge and corner-sharing SeY4 trigonal pyramids. In the second Se+1.50- site, Se+1.50- is bonded in a 5-coordinate geometry to four equivalent Y3+ and one Se+1.50- atom. The Se–Se bond length is 2.42 Å.},

  doi          = {10.17188/1709825},

  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/10.17188/1709825

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