Materials Data on Gd2CCl by Materials Project

doi:10.17188/1202725

Title: Materials Data on Gd2CCl by Materials Project

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Abstract

Gd2CCl is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd is bonded to three equivalent C and three equivalent Cl atoms to form a mixture of corner and edge-sharing GdC3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–C bond lengths are 2.50 Å. All Gd–Cl bond lengths are 3.02 Å. C is bonded to six equivalent Gd atoms to form CGd6 octahedra that share corners with six equivalent ClGd6 octahedra, edges with six equivalent CGd6 octahedra, and edges with six equivalent ClGd6 octahedra. The corner-sharing octahedral tilt angles are 14°. Cl is bonded to six equivalent Gd atoms to form distorted ClGd6 octahedra that share corners with six equivalent CGd6 octahedra, edges with six equivalent CGd6 octahedra, and edges with six equivalent ClGd6 octahedra. The corner-sharing octahedral tilt angles are 14°.

Authors:: The Materials Project

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

Other Number(s):: mp-28638

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; Gd2CCl; C-Cl-Gd

OSTI Identifier:: 1202725

DOI:: https://doi.org/10.17188/1202725

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                    The Materials Project. Materials Data on Gd2CCl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202725.

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                    The Materials Project. Materials Data on Gd2CCl by Materials Project.  United States.  doi:https://doi.org/10.17188/1202725

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                    The Materials Project. 2020.  
"Materials Data on Gd2CCl by Materials Project".  United States.  doi:https://doi.org/10.17188/1202725.  https://www.osti.gov/servlets/purl/1202725. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1202725,

  title        = {Materials Data on Gd2CCl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd2CCl is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd is bonded to three equivalent C and three equivalent Cl atoms to form a mixture of corner and edge-sharing GdC3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–C bond lengths are 2.50 Å. All Gd–Cl bond lengths are 3.02 Å. C is bonded to six equivalent Gd atoms to form CGd6 octahedra that share corners with six equivalent ClGd6 octahedra, edges with six equivalent CGd6 octahedra, and edges with six equivalent ClGd6 octahedra. The corner-sharing octahedral tilt angles are 14°. Cl is bonded to six equivalent Gd atoms to form distorted ClGd6 octahedra that share corners with six equivalent CGd6 octahedra, edges with six equivalent CGd6 octahedra, and edges with six equivalent ClGd6 octahedra. The corner-sharing octahedral tilt angles are 14°.},

  doi          = {10.17188/1202725},

  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/10.17188/1202725

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