Materials Data on CrCl3 by Materials Project

doi:10.17188/1275320

Title: Materials Data on CrCl3 by Materials Project

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Abstract

CrCl3 is Aluminum trichloride-like structured and crystallizes in the trigonal P3_212 space group. The structure is two-dimensional and consists of three CrCl3 sheets oriented in the (0, 0, 1) direction. Cr3+ is bonded to six Cl1- atoms to form edge-sharing CrCl6 octahedra. All Cr–Cl bond lengths are 2.36 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-569890

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; CrCl3; Cl-Cr

OSTI Identifier:: 1275320

DOI:: https://doi.org/10.17188/1275320

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                    The Materials Project. Materials Data on CrCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275320.

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                    The Materials Project. Materials Data on CrCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275320

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                    The Materials Project. 2020.  
"Materials Data on CrCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275320.  https://www.osti.gov/servlets/purl/1275320. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1275320,

  title        = {Materials Data on CrCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrCl3 is Aluminum trichloride-like structured and crystallizes in the trigonal P3_212 space group. The structure is two-dimensional and consists of three CrCl3 sheets oriented in the (0, 0, 1) direction. Cr3+ is bonded to six Cl1- atoms to form edge-sharing CrCl6 octahedra. All Cr–Cl bond lengths are 2.36 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cr3+ atoms.},

  doi          = {10.17188/1275320},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1275320

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