Materials Data on NdBPt4 by Materials Project

doi:10.17188/1663574

Title: Materials Data on NdBPt4 by Materials Project

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Abstract

NdPt4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a hexagonal planar geometry to six equivalent Pt atoms. All Nd–Pt bond lengths are 3.17 Å. In the second Nd3+ site, Nd3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt and six equivalent B3- atoms. All Nd–Pt bond lengths are 3.15 Å. All Nd–B bond lengths are 3.17 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to three equivalent Nd3+ and nine Pt atoms. There are six shorter (2.82 Å) and three longer (3.17 Å) Pt–Pt bond lengths. In the second Pt site, Pt is bonded in an L-shaped geometry to two equivalent Nd3+, two equivalent Pt, and two equivalent B3- atoms. Both Pt–B bond lengths are 2.22 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Nd3+ and six equivalent Pt atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-1209829

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; NdBPt4; B-Nd-Pt

OSTI Identifier:: 1663574

DOI:: https://doi.org/10.17188/1663574

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                    The Materials Project. Materials Data on NdBPt4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663574.

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                    The Materials Project. Materials Data on NdBPt4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663574

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                    The Materials Project. 2020.  
"Materials Data on NdBPt4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663574.  https://www.osti.gov/servlets/purl/1663574. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1663574,

  title        = {Materials Data on NdBPt4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdPt4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a hexagonal planar geometry to six equivalent Pt atoms. All Nd–Pt bond lengths are 3.17 Å. In the second Nd3+ site, Nd3+ is bonded in a 12-coordinate geometry to twelve equivalent Pt and six equivalent B3- atoms. All Nd–Pt bond lengths are 3.15 Å. All Nd–B bond lengths are 3.17 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to three equivalent Nd3+ and nine Pt atoms. There are six shorter (2.82 Å) and three longer (3.17 Å) Pt–Pt bond lengths. In the second Pt site, Pt is bonded in an L-shaped geometry to two equivalent Nd3+, two equivalent Pt, and two equivalent B3- atoms. Both Pt–B bond lengths are 2.22 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Nd3+ and six equivalent Pt atoms.},

  doi          = {10.17188/1663574},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1663574

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