Materials Data on NdP5 by Materials Project

doi:10.17188/1287678

Title: Materials Data on NdP5 by Materials Project

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Abstract

NdP5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight P+0.60- atoms. There are a spread of Nd–P bond distances ranging from 3.03–3.08 Å. There are three inequivalent P+0.60- sites. In the first P+0.60- site, P+0.60- is bonded to two equivalent Nd3+ and two P+0.60- atoms to form a mixture of corner and edge-sharing PNd2P2 tetrahedra. There are one shorter (2.17 Å) and one longer (2.22 Å) P–P bond lengths. In the second P+0.60- site, P+0.60- is bonded to two equivalent Nd3+ and two equivalent P+0.60- atoms to form distorted corner-sharing PNd2P2 tetrahedra. Both P–P bond lengths are 2.22 Å. In the third P+0.60- site, P+0.60- is bonded to one Nd3+ and three P+0.60- atoms to form distorted PNdP3 tetrahedra that share corners with nine PNd2P2 tetrahedra and an edgeedge with one PNdP3 tetrahedra. The P–P bond length is 2.21 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-7332

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; NdP5; Nd-P

OSTI Identifier:: 1287678

DOI:: https://doi.org/10.17188/1287678

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                    The Materials Project. Materials Data on NdP5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287678.

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                    The Materials Project. Materials Data on NdP5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287678

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                    The Materials Project. 2020.  
"Materials Data on NdP5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287678.  https://www.osti.gov/servlets/purl/1287678. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1287678,

  title        = {Materials Data on NdP5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdP5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight P+0.60- atoms. There are a spread of Nd–P bond distances ranging from 3.03–3.08 Å. There are three inequivalent P+0.60- sites. In the first P+0.60- site, P+0.60- is bonded to two equivalent Nd3+ and two P+0.60- atoms to form a mixture of corner and edge-sharing PNd2P2 tetrahedra. There are one shorter (2.17 Å) and one longer (2.22 Å) P–P bond lengths. In the second P+0.60- site, P+0.60- is bonded to two equivalent Nd3+ and two equivalent P+0.60- atoms to form distorted corner-sharing PNd2P2 tetrahedra. Both P–P bond lengths are 2.22 Å. In the third P+0.60- site, P+0.60- is bonded to one Nd3+ and three P+0.60- atoms to form distorted PNdP3 tetrahedra that share corners with nine PNd2P2 tetrahedra and an edgeedge with one PNdP3 tetrahedra. The P–P bond length is 2.21 Å.},

  doi          = {10.17188/1287678},

  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/10.17188/1287678

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