Materials Data on Y2Cl3 by Materials Project

doi:10.17188/1201879

Title: Materials Data on Y2Cl3 by Materials Project

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Abstract

Y2Cl3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Y2Cl3 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Y sites. In the first Y site, Y is bonded in a pentagonal planar geometry to five Cl atoms. There are a spread of Y–Cl bond distances ranging from 2.72–2.84 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to four Cl atoms. There are two shorter (2.76 Å) and two longer (2.79 Å) Y–Cl bond lengths. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted T-shaped geometry to three Y atoms. In the second Cl site, Cl is bonded in a distorted rectangular see-saw-like geometry to three Y atoms. In the third Cl site, Cl is bonded in a trigonal non-coplanar geometry to three equivalent Y atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-27678

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; Y2Cl3; Cl-Y

OSTI Identifier:: 1201879

DOI:: https://doi.org/10.17188/1201879

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                    The Materials Project. Materials Data on Y2Cl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201879.

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                    The Materials Project. Materials Data on Y2Cl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201879

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                    The Materials Project. 2020.  
"Materials Data on Y2Cl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201879.  https://www.osti.gov/servlets/purl/1201879. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1201879,

  title        = {Materials Data on Y2Cl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y2Cl3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Y2Cl3 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Y sites. In the first Y site, Y is bonded in a pentagonal planar geometry to five Cl atoms. There are a spread of Y–Cl bond distances ranging from 2.72–2.84 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to four Cl atoms. There are two shorter (2.76 Å) and two longer (2.79 Å) Y–Cl bond lengths. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted T-shaped geometry to three Y atoms. In the second Cl site, Cl is bonded in a distorted rectangular see-saw-like geometry to three Y atoms. In the third Cl site, Cl is bonded in a trigonal non-coplanar geometry to three equivalent Y atoms.},

  doi          = {10.17188/1201879},

  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/10.17188/1201879

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