Materials Data on Lu2CCl2 by Materials Project

doi:10.17188/1276490

Title: Materials Data on Lu2CCl2 by Materials Project

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Abstract

Lu2CCl2 is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Lu2CCl2 sheets oriented in the (0, 0, 1) direction. Lu3+ is bonded to three equivalent C4- and three equivalent Cl1- atoms to form a mixture of corner and edge-sharing LuC3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–C bond lengths are 2.46 Å. All Lu–Cl bond lengths are 2.71 Å. C4- is bonded to six equivalent Lu3+ atoms to form edge-sharing CLu6 octahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Lu3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-573376

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; Lu2CCl2; C-Cl-Lu

OSTI Identifier:: 1276490

DOI:: https://doi.org/10.17188/1276490

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                    The Materials Project. Materials Data on Lu2CCl2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276490.

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                    The Materials Project. Materials Data on Lu2CCl2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276490

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                    The Materials Project. 2020.  
"Materials Data on Lu2CCl2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276490.  https://www.osti.gov/servlets/purl/1276490. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1276490,

  title        = {Materials Data on Lu2CCl2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Lu2CCl2 is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Lu2CCl2 sheets oriented in the (0, 0, 1) direction. Lu3+ is bonded to three equivalent C4- and three equivalent Cl1- atoms to form a mixture of corner and edge-sharing LuC3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–C bond lengths are 2.46 Å. All Lu–Cl bond lengths are 2.71 Å. C4- is bonded to six equivalent Lu3+ atoms to form edge-sharing CLu6 octahedra. Cl1- is bonded in a 3-coordinate geometry to three equivalent Lu3+ atoms.},

  doi          = {10.17188/1276490},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1276490

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