Materials Data on Ho5NiBi2 by Materials Project

doi:10.17188/1651563

Title: Materials Data on Ho5NiBi2 by Materials Project

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Abstract

Ho5NiBi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded to one Ni and four equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing HoNiBi4 trigonal bipyramids. The Ho–Ni bond length is 2.75 Å. There are two shorter (3.15 Å) and two longer (3.16 Å) Ho–Bi bond lengths. In the second Ho site, Ho is bonded in a 5-coordinate geometry to one Ni and four equivalent Bi atoms. The Ho–Ni bond length is 2.75 Å. There are two shorter (3.23 Å) and two longer (3.28 Å) Ho–Bi bond lengths. In the third Ho site, Ho is bonded to one Ni and four equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing HoNiBi4 square pyramids. The Ho–Ni bond length is 2.99 Å. There are two shorter (3.12 Å) and two longer (3.14 Å) Ho–Bi bond lengths. In the fourth Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Bi atoms. There are one shorter (2.77 Å) and one longer (2.83 Å) Ho–Ni bond lengths. There are one shorter (3.26 Å)more »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1212503

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; Ho5NiBi2; Bi-Ho-Ni

OSTI Identifier:: 1651563

DOI:: https://doi.org/10.17188/1651563

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                    The Materials Project. Materials Data on Ho5NiBi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651563.

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                    The Materials Project. Materials Data on Ho5NiBi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651563

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                    The Materials Project. 2020.  
"Materials Data on Ho5NiBi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651563.  https://www.osti.gov/servlets/purl/1651563. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1651563,

  title        = {Materials Data on Ho5NiBi2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho5NiBi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded to one Ni and four equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing HoNiBi4 trigonal bipyramids. The Ho–Ni bond length is 2.75 Å. There are two shorter (3.15 Å) and two longer (3.16 Å) Ho–Bi bond lengths. In the second Ho site, Ho is bonded in a 5-coordinate geometry to one Ni and four equivalent Bi atoms. The Ho–Ni bond length is 2.75 Å. There are two shorter (3.23 Å) and two longer (3.28 Å) Ho–Bi bond lengths. In the third Ho site, Ho is bonded to one Ni and four equivalent Bi atoms to form a mixture of distorted corner, edge, and face-sharing HoNiBi4 square pyramids. The Ho–Ni bond length is 2.99 Å. There are two shorter (3.12 Å) and two longer (3.14 Å) Ho–Bi bond lengths. In the fourth Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Bi atoms. There are one shorter (2.77 Å) and one longer (2.83 Å) Ho–Ni bond lengths. There are one shorter (3.26 Å) and one longer (3.28 Å) Ho–Bi bond lengths. Ni is bonded to seven Ho atoms to form distorted edge-sharing NiHo7 pentagonal bipyramids. Bi is bonded in a 8-coordinate geometry to eight Ho atoms.},

  doi          = {10.17188/1651563},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1651563

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