Materials Data on Ho2SO2 by Materials Project

doi:10.17188/1183668

Title: Materials Data on Ho2SO2 by Materials Project

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Abstract

Ho2SO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ho3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Ho–S bond lengths are 2.87 Å. There are three shorter (2.26 Å) and one longer (2.28 Å) Ho–O bond lengths. S2- is bonded to six equivalent Ho3+ atoms to form distorted SHo6 octahedra that share corners with twelve equivalent OHo4 tetrahedra, edges with six equivalent SHo6 octahedra, and edges with six equivalent OHo4 tetrahedra. O2- is bonded to four equivalent Ho3+ atoms to form OHo4 tetrahedra that share corners with six equivalent SHo6 octahedra, corners with six equivalent OHo4 tetrahedra, edges with three equivalent SHo6 octahedra, and edges with three equivalent OHo4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–50°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-12670

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; Ho2SO2; Ho-O-S

OSTI Identifier:: 1183668

DOI:: https://doi.org/10.17188/1183668

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                    The Materials Project. Materials Data on Ho2SO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1183668.

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                    The Materials Project. Materials Data on Ho2SO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1183668

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                    The Materials Project. 2020.  
"Materials Data on Ho2SO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1183668.  https://www.osti.gov/servlets/purl/1183668. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1183668,

  title        = {Materials Data on Ho2SO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho2SO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ho3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Ho–S bond lengths are 2.87 Å. There are three shorter (2.26 Å) and one longer (2.28 Å) Ho–O bond lengths. S2- is bonded to six equivalent Ho3+ atoms to form distorted SHo6 octahedra that share corners with twelve equivalent OHo4 tetrahedra, edges with six equivalent SHo6 octahedra, and edges with six equivalent OHo4 tetrahedra. O2- is bonded to four equivalent Ho3+ atoms to form OHo4 tetrahedra that share corners with six equivalent SHo6 octahedra, corners with six equivalent OHo4 tetrahedra, edges with three equivalent SHo6 octahedra, and edges with three equivalent OHo4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–50°.},

  doi          = {10.17188/1183668},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1183668

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