Materials Data on Nd5CuBi3 by Materials Project

doi:10.17188/1704307

Title: Materials Data on Nd5CuBi3 by Materials Project

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Abstract

Nd5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Nd–Bi bond lengths are 3.41 Å. In the second Nd site, Nd is bonded to two equivalent Cu and five equivalent Bi atoms to form a mixture of distorted face, edge, and corner-sharing NdCu2Bi5 pentagonal bipyramids. Both Nd–Cu bond lengths are 2.98 Å. There are a spread of Nd–Bi bond distances ranging from 3.27–3.52 Å. Cu is bonded to six equivalent Nd atoms to form face-sharing CuNd6 octahedra. Bi is bonded in a 9-coordinate geometry to nine Nd atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1189755

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; Nd5CuBi3; Bi-Cu-Nd

OSTI Identifier:: 1704307

DOI:: https://doi.org/10.17188/1704307

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                    The Materials Project. Materials Data on Nd5CuBi3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1704307.

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                    The Materials Project. Materials Data on Nd5CuBi3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1704307

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                    The Materials Project. 2020.  
"Materials Data on Nd5CuBi3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1704307.  https://www.osti.gov/servlets/purl/1704307. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1704307,

  title        = {Materials Data on Nd5CuBi3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd5CuBi3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six equivalent Bi atoms. All Nd–Bi bond lengths are 3.41 Å. In the second Nd site, Nd is bonded to two equivalent Cu and five equivalent Bi atoms to form a mixture of distorted face, edge, and corner-sharing NdCu2Bi5 pentagonal bipyramids. Both Nd–Cu bond lengths are 2.98 Å. There are a spread of Nd–Bi bond distances ranging from 3.27–3.52 Å. Cu is bonded to six equivalent Nd atoms to form face-sharing CuNd6 octahedra. Bi is bonded in a 9-coordinate geometry to nine Nd atoms.},

  doi          = {10.17188/1704307},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1704307

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