Materials Data on ErCuP2 by Materials Project

doi:10.17188/1204612

Title: Materials Data on ErCuP2 by Materials Project

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Abstract

ErCuP2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight P2- atoms. There are a spread of Er–P bond distances ranging from 2.82–2.99 Å. Cu1+ is bonded to four equivalent P2- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. There are a spread of Cu–P bond distances ranging from 2.40–2.42 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 6-coordinate geometry to four equivalent Er3+ and two equivalent P2- atoms. Both P–P bond lengths are 2.37 Å. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-30196

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; ErCuP2; Cu-Er-P

OSTI Identifier:: 1204612

DOI:: https://doi.org/10.17188/1204612

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                    The Materials Project. Materials Data on ErCuP2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204612.

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                    The Materials Project. Materials Data on ErCuP2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204612

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                    The Materials Project. 2020.  
"Materials Data on ErCuP2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204612.  https://www.osti.gov/servlets/purl/1204612. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204612,

  title        = {Materials Data on ErCuP2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ErCuP2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight P2- atoms. There are a spread of Er–P bond distances ranging from 2.82–2.99 Å. Cu1+ is bonded to four equivalent P2- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. There are a spread of Cu–P bond distances ranging from 2.40–2.42 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 6-coordinate geometry to four equivalent Er3+ and two equivalent P2- atoms. Both P–P bond lengths are 2.37 Å. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent Cu1+ atoms.},

  doi          = {10.17188/1204612},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204612

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