Materials Data on CaHI by Materials Project

doi:10.17188/1199975

Title: Materials Data on CaHI by Materials Project

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Abstract

CaHI crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CaHI sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 4-coordinate geometry to four equivalent H1- and four equivalent I1- atoms. All Ca–H bond lengths are 2.35 Å. All Ca–I bond lengths are 3.27 Å. H1- is bonded to four equivalent Ca2+ atoms to form a mixture of corner and edge-sharing HCa4 tetrahedra. I1- is bonded in a 4-coordinate geometry to four equivalent Ca2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-24204

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; CaHI; Ca-H-I

OSTI Identifier:: 1199975

DOI:: https://doi.org/10.17188/1199975

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                    The Materials Project. Materials Data on CaHI by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199975.

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                    The Materials Project. Materials Data on CaHI by Materials Project.  United States.  doi:https://doi.org/10.17188/1199975

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                    The Materials Project. 2020.  
"Materials Data on CaHI by Materials Project".  United States.  doi:https://doi.org/10.17188/1199975.  https://www.osti.gov/servlets/purl/1199975. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1199975,

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

  author       = {The Materials Project},

  abstractNote = {CaHI crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CaHI sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 4-coordinate geometry to four equivalent H1- and four equivalent I1- atoms. All Ca–H bond lengths are 2.35 Å. All Ca–I bond lengths are 3.27 Å. H1- is bonded to four equivalent Ca2+ atoms to form a mixture of corner and edge-sharing HCa4 tetrahedra. I1- is bonded in a 4-coordinate geometry to four equivalent Ca2+ atoms.},

  doi          = {10.17188/1199975},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199975

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