Materials Data on Ho2SiSeO4 by Materials Project

doi:10.17188/1193257

Title: Materials Data on Ho2SiSeO4 by Materials Project

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Abstract

Ho2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Ho–Se bond lengths are 3.03 Å. There are a spread of Ho–O bond distances ranging from 2.34–2.43 Å. In the second Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.86 Å) and one longer (2.96 Å) Ho–Se bond lengths. There are a spread of Ho–O bond distances ranging from 2.38–2.54 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. Se2- is bonded in a 4-coordinate geometry to four Ho3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ho3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ho3+ and one Si4+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-18584

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; Ho2SiSeO4; Ho-O-Se-Si

OSTI Identifier:: 1193257

DOI:: https://doi.org/10.17188/1193257

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                    The Materials Project. Materials Data on Ho2SiSeO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193257.

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                    The Materials Project. Materials Data on Ho2SiSeO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193257

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                    The Materials Project. 2020.  
"Materials Data on Ho2SiSeO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193257.  https://www.osti.gov/servlets/purl/1193257. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1193257,

  title        = {Materials Data on Ho2SiSeO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho2SiSeO4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 6-coordinate geometry to two equivalent Se2- and six O2- atoms. Both Ho–Se bond lengths are 3.03 Å. There are a spread of Ho–O bond distances ranging from 2.34–2.43 Å. In the second Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to two equivalent Se2- and six O2- atoms. There are one shorter (2.86 Å) and one longer (2.96 Å) Ho–Se bond lengths. There are a spread of Ho–O bond distances ranging from 2.38–2.54 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. Se2- is bonded in a 4-coordinate geometry to four Ho3+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Ho3+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Ho3+ and one Si4+ atom.},

  doi          = {10.17188/1193257},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1193257

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