Materials Data on YCCl by Materials Project

doi:10.17188/1695257

Title: Materials Data on YCCl by Materials Project

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Abstract

YCCl crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one YCCl sheet oriented in the (0, 0, 1) direction. Y3+ is bonded in a 8-coordinate geometry to five equivalent C2- and three equivalent Cl1- atoms. There are a spread of Y–C bond distances ranging from 2.33–2.67 Å. There are two shorter (2.75 Å) and one longer (2.93 Å) Y–Cl bond lengths. C2- is bonded in a 6-coordinate geometry to five equivalent Y3+ and one C2- atom. The C–C bond length is 1.33 Å. Cl1- is bonded in a 3-coordinate geometry to three equivalent Y3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1206889

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; YCCl; C-Cl-Y

OSTI Identifier:: 1695257

DOI:: https://doi.org/10.17188/1695257

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                    The Materials Project. Materials Data on YCCl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1695257.

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                    The Materials Project. Materials Data on YCCl by Materials Project.  United States.  doi:https://doi.org/10.17188/1695257

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                    The Materials Project. 2020.  
"Materials Data on YCCl by Materials Project".  United States.  doi:https://doi.org/10.17188/1695257.  https://www.osti.gov/servlets/purl/1695257. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1695257,

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

  author       = {The Materials Project},

  abstractNote = {YCCl crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one YCCl sheet oriented in the (0, 0, 1) direction. Y3+ is bonded in a 8-coordinate geometry to five equivalent C2- and three equivalent Cl1- atoms. There are a spread of Y–C bond distances ranging from 2.33–2.67 Å. There are two shorter (2.75 Å) and one longer (2.93 Å) Y–Cl bond lengths. C2- is bonded in a 6-coordinate geometry to five equivalent Y3+ and one C2- atom. The C–C bond length is 1.33 Å. Cl1- is bonded in a 3-coordinate geometry to three equivalent Y3+ atoms.},

  doi          = {10.17188/1695257},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1695257

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