Materials Data on Be2Te7Cl6 by Materials Project

doi:10.17188/1204522

Title: Materials Data on Be2Te7Cl6 by Materials Project

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Abstract

(BeTeCl3)2(Te)5 crystallizes in the orthorhombic Pnnm space group. The structure is one-dimensional and consists of ten tellurium molecules and two BeTeCl3 ribbons oriented in the (1, 0, 0) direction. In each BeTeCl3 ribbon, Be2+ is bonded to four Cl1- atoms to form edge-sharing BeCl4 tetrahedra. There are two shorter (2.00 Å) and two longer (2.07 Å) Be–Cl bond lengths. Te+0.29+ is bonded in a water-like geometry to two equivalent Cl1- atoms. Both Te–Cl bond lengths are 3.07 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Be2+ and one Te+0.29+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Be2+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-30096

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; Be2Te7Cl6; Be-Cl-Te

OSTI Identifier:: 1204522

DOI:: https://doi.org/10.17188/1204522

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                    The Materials Project. Materials Data on Be2Te7Cl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204522.

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                    The Materials Project. Materials Data on Be2Te7Cl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204522

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                    The Materials Project. 2020.  
"Materials Data on Be2Te7Cl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204522.  https://www.osti.gov/servlets/purl/1204522. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1204522,

  title        = {Materials Data on Be2Te7Cl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(BeTeCl3)2(Te)5 crystallizes in the orthorhombic Pnnm space group. The structure is one-dimensional and consists of ten tellurium molecules and two BeTeCl3 ribbons oriented in the (1, 0, 0) direction. In each BeTeCl3 ribbon, Be2+ is bonded to four Cl1- atoms to form edge-sharing BeCl4 tetrahedra. There are two shorter (2.00 Å) and two longer (2.07 Å) Be–Cl bond lengths. Te+0.29+ is bonded in a water-like geometry to two equivalent Cl1- atoms. Both Te–Cl bond lengths are 3.07 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Be2+ and one Te+0.29+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Be2+ atoms.},

  doi          = {10.17188/1204522},

  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/10.17188/1204522

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