Materials Data on Ho(CuS)3 by Materials Project

doi:10.17188/1734153

Title: Materials Data on Ho(CuS)3 by Materials Project

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Abstract

Ho(CuS)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent S2- atoms to form HoS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with three equivalent HoS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Ho–S bond lengths are 2.74 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent HoS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with two equivalent HoS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–55°. There are a spread of Cu–S bond distances ranging from 2.35–2.43 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ho3+ and four equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1224178

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; Ho(CuS)3; Cu-Ho-S

OSTI Identifier:: 1734153

DOI:: https://doi.org/10.17188/1734153

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                    The Materials Project. Materials Data on Ho(CuS)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734153.

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                    The Materials Project. Materials Data on Ho(CuS)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734153

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                    The Materials Project. 2020.  
"Materials Data on Ho(CuS)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734153.  https://www.osti.gov/servlets/purl/1734153. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1734153,

  title        = {Materials Data on Ho(CuS)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho(CuS)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent S2- atoms to form HoS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with three equivalent HoS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Ho–S bond lengths are 2.74 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent HoS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with two equivalent HoS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–55°. There are a spread of Cu–S bond distances ranging from 2.35–2.43 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ho3+ and four equivalent Cu1+ atoms.},

  doi          = {10.17188/1734153},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1734153

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