Materials Data on NdP3 by Materials Project

doi:10.17188/1314586

Title: Materials Data on NdP3 by Materials Project

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Abstract

NdP3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded to twelve P1- atoms to form a mixture of face, edge, and corner-sharing NdP12 cuboctahedra. There are four shorter (2.83 Å) and eight longer (3.13 Å) Nd–P bond lengths. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent P1- atoms. All P–P bond lengths are 2.83 Å. In the second P1- site, P1- is bonded in a square co-planar geometry to four equivalent Nd3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-974613

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; NdP3; Nd-P

OSTI Identifier:: 1314586

DOI:: https://doi.org/10.17188/1314586

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                    The Materials Project. Materials Data on NdP3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314586.

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                    The Materials Project. Materials Data on NdP3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314586

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                    The Materials Project. 2020.  
"Materials Data on NdP3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314586.  https://www.osti.gov/servlets/purl/1314586. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1314586,

  title        = {Materials Data on NdP3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdP3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded to twelve P1- atoms to form a mixture of face, edge, and corner-sharing NdP12 cuboctahedra. There are four shorter (2.83 Å) and eight longer (3.13 Å) Nd–P bond lengths. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent P1- atoms. All P–P bond lengths are 2.83 Å. In the second P1- site, P1- is bonded in a square co-planar geometry to four equivalent Nd3+ atoms.},

  doi          = {10.17188/1314586},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1314586

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