Materials Data on Tb4SiBr6 by Materials Project

doi:10.17188/1204709

Title: Materials Data on Tb4SiBr6 by Materials Project

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Abstract

Tb4SiBr6 is trigonal omega-derived structured and crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to one Si and five Br atoms to form a mixture of corner and edge-sharing TbSiBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. The Tb–Si bond length is 2.74 Å. There are four shorter (2.91 Å) and one longer (3.02 Å) Tb–Br bond lengths. In the second Tb site, Tb is bonded to two equivalent Si and four Br atoms to form a mixture of corner and edge-sharing TbSi2Br4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. Both Tb–Si bond lengths are 2.80 Å. There are two shorter (2.97 Å) and two longer (2.99 Å) Tb–Br bond lengths. Si is bonded to six Tb atoms to form edge-sharing SiTb6 octahedra. There are three inequivalent Br sites. In the first Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the second Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the third Br site, Br is bonded in a distorted T-shaped geometry to three Tbmore » atoms.« less

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-30283

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; Tb4SiBr6; Br-Si-Tb

OSTI Identifier:: 1204709

DOI:: https://doi.org/10.17188/1204709

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                    The Materials Project. Materials Data on Tb4SiBr6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204709.

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                    The Materials Project. Materials Data on Tb4SiBr6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204709

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                    The Materials Project. 2020.  
"Materials Data on Tb4SiBr6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204709.  https://www.osti.gov/servlets/purl/1204709. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1204709,

  title        = {Materials Data on Tb4SiBr6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb4SiBr6 is trigonal omega-derived structured and crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to one Si and five Br atoms to form a mixture of corner and edge-sharing TbSiBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. The Tb–Si bond length is 2.74 Å. There are four shorter (2.91 Å) and one longer (3.02 Å) Tb–Br bond lengths. In the second Tb site, Tb is bonded to two equivalent Si and four Br atoms to form a mixture of corner and edge-sharing TbSi2Br4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. Both Tb–Si bond lengths are 2.80 Å. There are two shorter (2.97 Å) and two longer (2.99 Å) Tb–Br bond lengths. Si is bonded to six Tb atoms to form edge-sharing SiTb6 octahedra. There are three inequivalent Br sites. In the first Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the second Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms. In the third Br site, Br is bonded in a distorted T-shaped geometry to three Tb atoms.},

  doi          = {10.17188/1204709},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204709

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