Materials Data on Ho15Si9C by Materials Project

doi:10.17188/1759647

Title: Materials Data on Ho15Si9C by Materials Project

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Abstract

Ho15Si9C crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 2-coordinate geometry to four Si and two equivalent C atoms. There are a spread of Ho–Si bond distances ranging from 2.99–3.34 Å. There are one shorter (2.44 Å) and one longer (2.47 Å) Ho–C bond lengths. In the second Ho site, Ho is bonded in a 4-coordinate geometry to four Si atoms. There are three shorter (2.92 Å) and one longer (3.16 Å) Ho–Si bond lengths. In the third Ho site, Ho is bonded in a 3-coordinate geometry to five Si atoms. There are a spread of Ho–Si bond distances ranging from 2.91–3.53 Å. In the fourth Ho site, Ho is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Ho–Si bond distances ranging from 2.97–3.08 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Ho atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Ho atoms. In the third Si site, Si is bonded in a 8-coordinate geometrymore »« less

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1224472

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; Ho15Si9C; C-Ho-Si

OSTI Identifier:: 1759647

DOI:: https://doi.org/10.17188/1759647

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                    The Materials Project. Materials Data on Ho15Si9C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1759647.

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                    The Materials Project. Materials Data on Ho15Si9C by Materials Project.  United States.  doi:https://doi.org/10.17188/1759647

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                    The Materials Project. 2020.  
"Materials Data on Ho15Si9C by Materials Project".  United States.  doi:https://doi.org/10.17188/1759647.  https://www.osti.gov/servlets/purl/1759647. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1759647,

  title        = {Materials Data on Ho15Si9C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho15Si9C crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 2-coordinate geometry to four Si and two equivalent C atoms. There are a spread of Ho–Si bond distances ranging from 2.99–3.34 Å. There are one shorter (2.44 Å) and one longer (2.47 Å) Ho–C bond lengths. In the second Ho site, Ho is bonded in a 4-coordinate geometry to four Si atoms. There are three shorter (2.92 Å) and one longer (3.16 Å) Ho–Si bond lengths. In the third Ho site, Ho is bonded in a 3-coordinate geometry to five Si atoms. There are a spread of Ho–Si bond distances ranging from 2.91–3.53 Å. In the fourth Ho site, Ho is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Ho–Si bond distances ranging from 2.97–3.08 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Ho atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Ho atoms. In the third Si site, Si is bonded in a 8-coordinate geometry to eight Ho atoms. C is bonded to six equivalent Ho atoms to form face-sharing CHo6 octahedra.},

  doi          = {10.17188/1759647},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1759647

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