Materials Data on YCuP2 by Materials Project

doi:10.17188/1204620

Title: Materials Data on YCuP2 by Materials Project

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Abstract

YCuP2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight P2- atoms. There are four shorter (2.86 Å) and four longer (2.93 Å) Y–P bond lengths. Cu1+ is bonded to four equivalent P2- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. All Cu–P bond lengths are 2.40 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent Cu1+ atoms. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent P2- atoms. All P–P bond lengths are 2.64 Å.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-30208

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; YCuP2; Cu-P-Y

OSTI Identifier:: 1204620

DOI:: https://doi.org/10.17188/1204620

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                    The Materials Project. Materials Data on YCuP2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204620.

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                    The Materials Project. Materials Data on YCuP2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204620

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                    The Materials Project. 2020.  
"Materials Data on YCuP2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204620.  https://www.osti.gov/servlets/purl/1204620. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1204620,

  title        = {Materials Data on YCuP2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YCuP2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight P2- atoms. There are four shorter (2.86 Å) and four longer (2.93 Å) Y–P bond lengths. Cu1+ is bonded to four equivalent P2- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. All Cu–P bond lengths are 2.40 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent Cu1+ atoms. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Y3+ and four equivalent P2- atoms. All P–P bond lengths are 2.64 Å.},

  doi          = {10.17188/1204620},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204620

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