Materials Data on HoSi3Rh5 by Materials Project

doi:10.17188/1197167

Title: Materials Data on HoSi3Rh5 by Materials Project

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Abstract

HoRh5Si3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six Rh and six Si atoms. There are two shorter (3.06 Å) and four longer (3.12 Å) Ho–Rh bond lengths. There are two shorter (3.06 Å) and four longer (3.09 Å) Ho–Si bond lengths. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si atoms. There are one shorter (2.34 Å) and two longer (2.49 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Ho and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.39–2.49 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Ho and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.40–2.49 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Ho and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.41–2.51 Å. In the fifth Rh site, Rh is bonded in a 5-coordinatemore »« less

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-21793

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; HoSi3Rh5; Ho-Rh-Si

OSTI Identifier:: 1197167

DOI:: https://doi.org/10.17188/1197167

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                    The Materials Project. Materials Data on HoSi3Rh5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197167.

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                    The Materials Project. Materials Data on HoSi3Rh5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197167

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                    The Materials Project. 2020.  
"Materials Data on HoSi3Rh5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197167.  https://www.osti.gov/servlets/purl/1197167. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1197167,

  title        = {Materials Data on HoSi3Rh5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HoRh5Si3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six Rh and six Si atoms. There are two shorter (3.06 Å) and four longer (3.12 Å) Ho–Rh bond lengths. There are two shorter (3.06 Å) and four longer (3.09 Å) Ho–Si bond lengths. There are five inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si atoms. There are one shorter (2.34 Å) and two longer (2.49 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Ho and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.39–2.49 Å. In the third Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Ho and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.40–2.49 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Ho and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.41–2.51 Å. In the fifth Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are one shorter (2.37 Å) and four longer (2.52 Å) Rh–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to two equivalent Ho and six Rh atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to two equivalent Ho and seven Rh atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to two equivalent Ho and seven Rh atoms.},

  doi          = {10.17188/1197167},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1197167

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