Materials Data on Ho10Si17 by Materials Project

doi:10.17188/1275296

Title: Materials Data on Ho10Si17 by Materials Project

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Abstract

Ho10Si17 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to ten Si atoms. There are a spread of Ho–Si bond distances ranging from 2.90–3.31 Å. In the second Ho site, Ho is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Ho–Si bond distances ranging from 2.90–3.25 Å. In the third Ho site, Ho is bonded in a 8-coordinate geometry to eleven Si atoms. There are a spread of Ho–Si bond distances ranging from 2.93–3.37 Å. There are ten inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Ho and three Si atoms. There are one shorter (2.34 Å) and two longer (2.45 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to six Ho and two equivalent Si atoms. Both Si–Si bond lengths are 2.39 Å. In the third Si site, Si is bonded in a 8-coordinate geometry to six Ho and two Si atoms. There are one shorter (2.40 Å) and one longer (2.44 Å) Si–Si bondmore »« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-569851

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; Ho10Si17; Ho-Si

OSTI Identifier:: 1275296

DOI:: https://doi.org/10.17188/1275296

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                    The Materials Project. Materials Data on Ho10Si17 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275296.

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                    The Materials Project. Materials Data on Ho10Si17 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275296

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                    The Materials Project. 2020.  
"Materials Data on Ho10Si17 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275296.  https://www.osti.gov/servlets/purl/1275296. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1275296,

  title        = {Materials Data on Ho10Si17 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho10Si17 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to ten Si atoms. There are a spread of Ho–Si bond distances ranging from 2.90–3.31 Å. In the second Ho site, Ho is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Ho–Si bond distances ranging from 2.90–3.25 Å. In the third Ho site, Ho is bonded in a 8-coordinate geometry to eleven Si atoms. There are a spread of Ho–Si bond distances ranging from 2.93–3.37 Å. There are ten inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Ho and three Si atoms. There are one shorter (2.34 Å) and two longer (2.45 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to six Ho and two equivalent Si atoms. Both Si–Si bond lengths are 2.39 Å. In the third Si site, Si is bonded in a 8-coordinate geometry to six Ho and two Si atoms. There are one shorter (2.40 Å) and one longer (2.44 Å) Si–Si bond lengths. In the fourth Si site, Si is bonded in a 9-coordinate geometry to six Ho and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.33–2.40 Å. In the fifth Si site, Si is bonded in a 6-coordinate geometry to six Ho and two Si atoms. In the sixth Si site, Si is bonded in a 6-coordinate geometry to six Ho and two Si atoms. The Si–Si bond length is 2.43 Å. In the seventh Si site, Si is bonded in a 9-coordinate geometry to six Ho and three Si atoms. The Si–Si bond length is 2.42 Å. In the eighth Si site, Si is bonded in a 9-coordinate geometry to six Ho and three Si atoms. The Si–Si bond length is 2.40 Å. In the ninth Si site, Si is bonded in a 9-coordinate geometry to six Ho and three Si atoms. In the tenth Si site, Si is bonded in a 8-coordinate geometry to six Ho and two Si atoms.},

  doi          = {10.17188/1275296},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275296

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