Materials Data on YbClO by Materials Project

doi:10.17188/1267184

Title: Materials Data on YbClO by Materials Project

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Abstract

YbOCl is Cotunnite-derived structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three YbOCl sheets oriented in the (0, 0, 1) direction. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to four O2- and three equivalent Cl1- atoms. There are one shorter (2.28 Å) and three longer (2.34 Å) Yb–O bond lengths. All Yb–Cl bond lengths are 2.77 Å. In the second Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to four O2- and three equivalent Cl1- atoms. There are one shorter (2.30 Å) and three longer (2.34 Å) Yb–O bond lengths. All Yb–Cl bond lengths are 2.76 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Yb3+ atoms to form a mixture of edge and corner-sharing OYb4 tetrahedra. In the second O2- site, O2- is bonded to four Yb3+ atoms to form a mixture of edge and corner-sharing OYb4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Yb3+ atoms. In the second Cl1- site, Cl1- is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-546292

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; YbClO; Cl-O-Yb

OSTI Identifier:: 1267184

DOI:: https://doi.org/10.17188/1267184

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                    The Materials Project. Materials Data on YbClO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267184.

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                    The Materials Project. Materials Data on YbClO by Materials Project.  United States.  doi:https://doi.org/10.17188/1267184

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                    The Materials Project. 2020.  
"Materials Data on YbClO by Materials Project".  United States.  doi:https://doi.org/10.17188/1267184.  https://www.osti.gov/servlets/purl/1267184. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1267184,

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

  author       = {The Materials Project},

  abstractNote = {YbOCl is Cotunnite-derived structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three YbOCl sheets oriented in the (0, 0, 1) direction. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to four O2- and three equivalent Cl1- atoms. There are one shorter (2.28 Å) and three longer (2.34 Å) Yb–O bond lengths. All Yb–Cl bond lengths are 2.77 Å. In the second Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to four O2- and three equivalent Cl1- atoms. There are one shorter (2.30 Å) and three longer (2.34 Å) Yb–O bond lengths. All Yb–Cl bond lengths are 2.76 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Yb3+ atoms to form a mixture of edge and corner-sharing OYb4 tetrahedra. In the second O2- site, O2- is bonded to four Yb3+ atoms to form a mixture of edge and corner-sharing OYb4 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Yb3+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Yb3+ atoms.},

  doi          = {10.17188/1267184},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1267184

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