Materials Data on Nd5Co19B6 by Materials Project

doi:10.17188/1275088

Title: Materials Data on Nd5Co19B6 by Materials Project

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Abstract

Nd5Co19B6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Nd–Co bond lengths are 2.96 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to twelve Co and six equivalent B atoms. There are six shorter (2.89 Å) and six longer (2.99 Å) Nd–Co bond lengths. All Nd–B bond lengths are 2.96 Å. In the third Nd site, Nd is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Nd–Co bond lengths are 2.93 Å. All Nd–B bond lengths are 2.96 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Nd, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.47 Å. Both Co–B bond lengths are 2.06 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six Co atoms. All Co–Co bond lengths are 2.47 Å. In the third Co site, Co is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-569415

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; Nd5Co19B6; B-Co-Nd

OSTI Identifier:: 1275088

DOI:: https://doi.org/10.17188/1275088

Citation Formats


                    The Materials Project. Materials Data on Nd5Co19B6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275088.

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                    The Materials Project. Materials Data on Nd5Co19B6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275088

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                    The Materials Project. 2020.  
"Materials Data on Nd5Co19B6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275088.  https://www.osti.gov/servlets/purl/1275088. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1275088,

  title        = {Materials Data on Nd5Co19B6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd5Co19B6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Nd–Co bond lengths are 2.96 Å. In the second Nd site, Nd is bonded in a 12-coordinate geometry to twelve Co and six equivalent B atoms. There are six shorter (2.89 Å) and six longer (2.99 Å) Nd–Co bond lengths. All Nd–B bond lengths are 2.96 Å. In the third Nd site, Nd is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Nd–Co bond lengths are 2.93 Å. All Nd–B bond lengths are 2.96 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Nd, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.47 Å. Both Co–B bond lengths are 2.06 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six Co atoms. All Co–Co bond lengths are 2.47 Å. In the third Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Nd, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. In the fourth Co site, Co is bonded in a distorted square co-planar geometry to four equivalent Nd and four equivalent B atoms. All Co–B bond lengths are 2.08 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Nd and six Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Nd and six equivalent Co atoms.},

  doi          = {10.17188/1275088},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275088

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