Materials Data on Ca3AsCl3 by Materials Project

doi:10.17188/1202190

Title: Materials Data on Ca3AsCl3 by Materials Project

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Abstract

Ca3AsCl3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to two equivalent As3- and four equivalent Cl1- atoms to form a mixture of edge and corner-sharing CaAs2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ca–As bond lengths are 2.89 Å. All Ca–Cl bond lengths are 2.89 Å. As3- is bonded to six equivalent Ca2+ atoms to form corner-sharing AsCa6 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a square co-planar geometry to four equivalent Ca2+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-28069

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; Ca3AsCl3; As-Ca-Cl

OSTI Identifier:: 1202190

DOI:: https://doi.org/10.17188/1202190

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                    The Materials Project. Materials Data on Ca3AsCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202190.

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                    The Materials Project. Materials Data on Ca3AsCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202190

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                    The Materials Project. 2020.  
"Materials Data on Ca3AsCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202190.  https://www.osti.gov/servlets/purl/1202190. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1202190,

  title        = {Materials Data on Ca3AsCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca3AsCl3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to two equivalent As3- and four equivalent Cl1- atoms to form a mixture of edge and corner-sharing CaAs2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ca–As bond lengths are 2.89 Å. All Ca–Cl bond lengths are 2.89 Å. As3- is bonded to six equivalent Ca2+ atoms to form corner-sharing AsCa6 octahedra. The corner-sharing octahedral tilt angles are 0°. Cl1- is bonded in a square co-planar geometry to four equivalent Ca2+ atoms.},

  doi          = {10.17188/1202190},

  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/10.17188/1202190

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