Materials Data on DyNi4B by Materials Project

doi:10.17188/1678678

Title: Materials Data on DyNi4B by Materials Project

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Abstract

DyNi4B crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Dy–Ni bond lengths are 2.88 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to twelve Ni and six equivalent B atoms. All Dy–Ni bond lengths are 2.88 Å. All Dy–B bond lengths are 2.88 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy and nine Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.49–2.88 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Dy, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. In the third Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Dy, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. B is bonded in a 6-coordinate geometry to three equivalent Dy and six Ni atoms.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1102346

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; DyNi4B; B-Dy-Ni

OSTI Identifier:: 1678678

DOI:: https://doi.org/10.17188/1678678

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                    The Materials Project. Materials Data on DyNi4B by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1678678.

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                    The Materials Project. Materials Data on DyNi4B by Materials Project.  United States.  doi:https://doi.org/10.17188/1678678

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                    The Materials Project. 2018.  
"Materials Data on DyNi4B by Materials Project".  United States.  doi:https://doi.org/10.17188/1678678.  https://www.osti.gov/servlets/purl/1678678. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1678678,

  title        = {Materials Data on DyNi4B by Materials Project},

  author       = {The Materials Project},

  abstractNote = {DyNi4B crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Dy–Ni bond lengths are 2.88 Å. In the second Dy site, Dy is bonded in a 12-coordinate geometry to twelve Ni and six equivalent B atoms. All Dy–Ni bond lengths are 2.88 Å. All Dy–B bond lengths are 2.88 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Dy and nine Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.49–2.88 Å. In the second Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Dy, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. In the third Ni site, Ni is bonded in a distorted L-shaped geometry to two equivalent Dy, two equivalent Ni, and two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. B is bonded in a 6-coordinate geometry to three equivalent Dy and six Ni atoms.},

  doi          = {10.17188/1678678},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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