Materials Data on Ho2Si3Rh by Materials Project

doi:10.17188/1192529

Title: Materials Data on Ho2Si3Rh by Materials Project

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Abstract

Ho2RhSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve equivalent Si atoms to form HoSi12 cuboctahedra that share edges with twelve equivalent HoSi8Rh4 cuboctahedra and faces with eight HoSi12 cuboctahedra. All Ho–Si bond lengths are 3.07 Å. In the second Ho site, Ho is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of distorted face and edge-sharing HoSi8Rh4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.15 Å) Ho–Rh bond lengths. There are four shorter (3.02 Å) and four longer (3.11 Å) Ho–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Ho and three equivalent Si atoms. All Rh–Si bond lengths are 2.37 Å. Si is bonded in a 1-coordinate geometry to six Ho, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.36 Å.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-17485

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; Ho2Si3Rh; Ho-Rh-Si

OSTI Identifier:: 1192529

DOI:: https://doi.org/10.17188/1192529

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                    The Materials Project. Materials Data on Ho2Si3Rh by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192529.

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                    The Materials Project. Materials Data on Ho2Si3Rh by Materials Project.  United States.  doi:https://doi.org/10.17188/1192529

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                    The Materials Project. 2020.  
"Materials Data on Ho2Si3Rh by Materials Project".  United States.  doi:https://doi.org/10.17188/1192529.  https://www.osti.gov/servlets/purl/1192529. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1192529,

  title        = {Materials Data on Ho2Si3Rh by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho2RhSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to twelve equivalent Si atoms to form HoSi12 cuboctahedra that share edges with twelve equivalent HoSi8Rh4 cuboctahedra and faces with eight HoSi12 cuboctahedra. All Ho–Si bond lengths are 3.07 Å. In the second Ho site, Ho is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of distorted face and edge-sharing HoSi8Rh4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.15 Å) Ho–Rh bond lengths. There are four shorter (3.02 Å) and four longer (3.11 Å) Ho–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Ho and three equivalent Si atoms. All Rh–Si bond lengths are 2.37 Å. Si is bonded in a 1-coordinate geometry to six Ho, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.36 Å.},

  doi          = {10.17188/1192529},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192529

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