Materials Data on Ca(HoS2)2 by Materials Project

doi:10.17188/1206696

Title: Materials Data on Ca(HoS2)2 by Materials Project

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Abstract

Ca(HoS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.80 Å) and four longer (3.05 Å) Ca–S bond lengths. Ho3+ is bonded to eight equivalent S2- atoms to form a mixture of distorted face, edge, and corner-sharing HoS8 hexagonal bipyramids. There are a spread of Ho–S bond distances ranging from 2.74–3.01 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Ho3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-34011

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; Ca(HoS2)2; Ca-Ho-S

OSTI Identifier:: 1206696

DOI:: https://doi.org/10.17188/1206696

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                    The Materials Project. Materials Data on Ca(HoS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206696.

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                    The Materials Project. Materials Data on Ca(HoS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206696

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                    The Materials Project. 2020.  
"Materials Data on Ca(HoS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206696.  https://www.osti.gov/servlets/purl/1206696. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1206696,

  title        = {Materials Data on Ca(HoS2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca(HoS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.80 Å) and four longer (3.05 Å) Ca–S bond lengths. Ho3+ is bonded to eight equivalent S2- atoms to form a mixture of distorted face, edge, and corner-sharing HoS8 hexagonal bipyramids. There are a spread of Ho–S bond distances ranging from 2.74–3.01 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Ho3+ atoms.},

  doi          = {10.17188/1206696},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1206696

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