Materials Data on Sc7Cl10 by Materials Project

doi:10.17188/1201728

Title: Materials Data on Sc7Cl10 by Materials Project

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Abstract

Sc7Cl10 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Sc7Cl10 sheet oriented in the (2, 0, -1) direction. there are four inequivalent Sc sites. In the first Sc site, Sc is bonded in a 3-coordinate geometry to three Cl atoms. There are one shorter (2.68 Å) and two longer (2.71 Å) Sc–Cl bond lengths. In the second Sc site, Sc is bonded in a 4-coordinate geometry to four Cl atoms. There are two shorter (2.57 Å) and two longer (2.64 Å) Sc–Cl bond lengths. In the third Sc site, Sc is bonded in a distorted rectangular see-saw-like geometry to four Cl atoms. There are a spread of Sc–Cl bond distances ranging from 2.45–2.63 Å. In the fourth Sc site, Sc is bonded to six Cl atoms to form edge-sharing ScCl6 octahedra. There are four shorter (2.51 Å) and two longer (2.61 Å) Sc–Cl bond lengths. There are five inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted T-shaped geometry to three Sc atoms. In the second Cl site, Cl is bonded in a distorted T-shaped geometry to three Sc atoms. In the third Cl site, Cl is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Thu May 11 00:00:00 EDT 2017

Other Number(s):: mp-27513

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; Sc7Cl10; Cl-Sc

OSTI Identifier:: 1201728

DOI:: https://doi.org/10.17188/1201728

Citation Formats


                    The Materials Project. Materials Data on Sc7Cl10 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1201728.

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                    The Materials Project. Materials Data on Sc7Cl10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201728

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                    The Materials Project. 2017.  
"Materials Data on Sc7Cl10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201728.  https://www.osti.gov/servlets/purl/1201728. Pub date:Thu May 11 00:00:00 EDT 2017

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@article{osti_1201728,

  title        = {Materials Data on Sc7Cl10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sc7Cl10 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Sc7Cl10 sheet oriented in the (2, 0, -1) direction. there are four inequivalent Sc sites. In the first Sc site, Sc is bonded in a 3-coordinate geometry to three Cl atoms. There are one shorter (2.68 Å) and two longer (2.71 Å) Sc–Cl bond lengths. In the second Sc site, Sc is bonded in a 4-coordinate geometry to four Cl atoms. There are two shorter (2.57 Å) and two longer (2.64 Å) Sc–Cl bond lengths. In the third Sc site, Sc is bonded in a distorted rectangular see-saw-like geometry to four Cl atoms. There are a spread of Sc–Cl bond distances ranging from 2.45–2.63 Å. In the fourth Sc site, Sc is bonded to six Cl atoms to form edge-sharing ScCl6 octahedra. There are four shorter (2.51 Å) and two longer (2.61 Å) Sc–Cl bond lengths. There are five inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted T-shaped geometry to three Sc atoms. In the second Cl site, Cl is bonded in a distorted T-shaped geometry to three Sc atoms. In the third Cl site, Cl is bonded in an L-shaped geometry to two equivalent Sc atoms. In the fourth Cl site, Cl is bonded in a distorted T-shaped geometry to three Sc atoms. In the fifth Cl site, Cl is bonded in a 3-coordinate geometry to three Sc atoms.},

  doi          = {10.17188/1201728},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu May 11 00:00:00 EDT 2017},

  month        = {Thu May 11 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1201728

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