Materials Data on Nd(Co2B)6 by Materials Project

doi:10.17188/1699357

Title: Materials Data on Nd(Co2B)6 by Materials Project

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Abstract

NdCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Nd–B bond lengths are 3.05 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 trigonal pyramids. All Co–B bond lengths are 2.04 Å. In the second Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. All Co–B bond lengths are 2.10 Å. B3- is bonded in a 7-coordinate geometry to one Nd3+ and seven Co+1.25+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1105815

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; Nd(Co2B)6; B-Co-Nd

OSTI Identifier:: 1699357

DOI:: https://doi.org/10.17188/1699357

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                    The Materials Project. Materials Data on Nd(Co2B)6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1699357.

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                    The Materials Project. Materials Data on Nd(Co2B)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1699357

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                    The Materials Project. 2020.  
"Materials Data on Nd(Co2B)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1699357.  https://www.osti.gov/servlets/purl/1699357. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1699357,

  title        = {Materials Data on Nd(Co2B)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Nd–B bond lengths are 3.05 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 trigonal pyramids. All Co–B bond lengths are 2.04 Å. In the second Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. All Co–B bond lengths are 2.10 Å. B3- is bonded in a 7-coordinate geometry to one Nd3+ and seven Co+1.25+ atoms.},

  doi          = {10.17188/1699357},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1699357

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