Materials Data on Yb8Cl17 by Materials Project

doi:10.17188/1277001

Title: Materials Data on Yb8Cl17 by Materials Project

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Abstract

Yb8Cl17 is Baddeleyite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Yb+2.12+ sites. In the first Yb+2.12+ site, Yb+2.12+ is bonded to seven Cl1- atoms to form a mixture of distorted corner and edge-sharing YbCl7 pentagonal bipyramids. There are a spread of Yb–Cl bond distances ranging from 2.74–3.00 Å. In the second Yb+2.12+ site, Yb+2.12+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Yb–Cl bond distances ranging from 2.71–3.27 Å. In the third Yb+2.12+ site, Yb+2.12+ is bonded to seven Cl1- atoms to form a mixture of distorted corner and edge-sharing YbCl7 pentagonal bipyramids. There are a spread of Yb–Cl bond distances ranging from 2.73–2.88 Å. In the fourth Yb+2.12+ site, Yb+2.12+ is bonded to seven Cl1- atoms to form a mixture of distorted corner and edge-sharing YbCl7 pentagonal bipyramids. There are a spread of Yb–Cl bond distances ranging from 2.75–2.89 Å. There are nine inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three Yb+2.12+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to three equivalent Yb+2.12+ atoms. Inmore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-582735

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; Yb8Cl17; Cl-Yb

OSTI Identifier:: 1277001

DOI:: https://doi.org/10.17188/1277001

Citation Formats


                    The Materials Project. Materials Data on Yb8Cl17 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277001.

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                    The Materials Project. Materials Data on Yb8Cl17 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277001

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                    The Materials Project. 2020.  
"Materials Data on Yb8Cl17 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277001.  https://www.osti.gov/servlets/purl/1277001. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1277001,

  title        = {Materials Data on Yb8Cl17 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb8Cl17 is Baddeleyite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Yb+2.12+ sites. In the first Yb+2.12+ site, Yb+2.12+ is bonded to seven Cl1- atoms to form a mixture of distorted corner and edge-sharing YbCl7 pentagonal bipyramids. There are a spread of Yb–Cl bond distances ranging from 2.74–3.00 Å. In the second Yb+2.12+ site, Yb+2.12+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Yb–Cl bond distances ranging from 2.71–3.27 Å. In the third Yb+2.12+ site, Yb+2.12+ is bonded to seven Cl1- atoms to form a mixture of distorted corner and edge-sharing YbCl7 pentagonal bipyramids. There are a spread of Yb–Cl bond distances ranging from 2.73–2.88 Å. In the fourth Yb+2.12+ site, Yb+2.12+ is bonded to seven Cl1- atoms to form a mixture of distorted corner and edge-sharing YbCl7 pentagonal bipyramids. There are a spread of Yb–Cl bond distances ranging from 2.75–2.89 Å. There are nine inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three Yb+2.12+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to three equivalent Yb+2.12+ atoms. In the third Cl1- site, Cl1- is bonded to four Yb+2.12+ atoms to form a mixture of distorted corner and edge-sharing ClYb4 tetrahedra. In the fourth Cl1- site, Cl1- is bonded to four Yb+2.12+ atoms to form a mixture of distorted corner and edge-sharing ClYb4 tetrahedra. In the fifth Cl1- site, Cl1- is bonded to four Yb+2.12+ atoms to form a mixture of distorted corner and edge-sharing ClYb4 tetrahedra. In the sixth Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Yb+2.12+ atoms. In the seventh Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three Yb+2.12+ atoms. In the eighth Cl1- site, Cl1- is bonded in a distorted trigonal planar geometry to three Yb+2.12+ atoms. In the ninth Cl1- site, Cl1- is bonded to four equivalent Yb+2.12+ atoms to form a mixture of distorted corner and edge-sharing ClYb4 tetrahedra.},

  doi          = {10.17188/1277001},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277001

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