Materials Data on NdY3(Co4B)4 by Materials Project

doi:10.17188/1748738

Title: Materials Data on NdY3(Co4B)4 by Materials Project

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Abstract

NdY3(Co4B)4 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Nd–Co bond lengths are 2.91 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Y–Co bond lengths are 2.91 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Co and six equivalent B atoms. All Y–Co bond lengths are 2.91 Å. All Y–B bond lengths are 2.91 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Y, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.46 Å. Both Co–B bond lengths are 2.04 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Y, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.45 Å. Both Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Co atoms.more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1220135

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; NdY3(Co4B)4; B-Co-Nd-Y

OSTI Identifier:: 1748738

DOI:: https://doi.org/10.17188/1748738

Citation Formats


                    The Materials Project. Materials Data on NdY3(Co4B)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748738.

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                    The Materials Project. Materials Data on NdY3(Co4B)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1748738

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                    The Materials Project. 2020.  
"Materials Data on NdY3(Co4B)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1748738.  https://www.osti.gov/servlets/purl/1748738. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1748738,

  title        = {Materials Data on NdY3(Co4B)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdY3(Co4B)4 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Nd–Co bond lengths are 2.91 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Y–Co bond lengths are 2.91 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Co and six equivalent B atoms. All Y–Co bond lengths are 2.91 Å. All Y–B bond lengths are 2.91 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Y, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.46 Å. Both Co–B bond lengths are 2.04 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Y, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.45 Å. Both Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Co atoms. In the fourth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent Co atoms. B is bonded in a 6-coordinate geometry to three equivalent Y and six Co atoms.},

  doi          = {10.17188/1748738},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1748738

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