Materials Data on TbH2Br by Materials Project

doi:10.17188/1280169

Title: Materials Data on TbH2Br by Materials Project

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Abstract

TbH2Br crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three TbH2Br sheets oriented in the (0, 0, 1) direction. Tb3+ is bonded in a 10-coordinate geometry to seven H1- and three equivalent Br1- atoms. There are a spread of Tb–H bond distances ranging from 2.19–2.40 Å. All Tb–Br bond lengths are 2.92 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Tb3+ atoms. In the second H1- site, H1- is bonded to four equivalent Tb3+ atoms to form a mixture of corner and edge-sharing HTb4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Tb3+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-642807

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; TbH2Br; Br-H-Tb

OSTI Identifier:: 1280169

DOI:: https://doi.org/10.17188/1280169

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                    The Materials Project. Materials Data on TbH2Br by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280169.

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                    The Materials Project. Materials Data on TbH2Br by Materials Project.  United States.  doi:https://doi.org/10.17188/1280169

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                    The Materials Project. 2020.  
"Materials Data on TbH2Br by Materials Project".  United States.  doi:https://doi.org/10.17188/1280169.  https://www.osti.gov/servlets/purl/1280169. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1280169,

  title        = {Materials Data on TbH2Br by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbH2Br crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three TbH2Br sheets oriented in the (0, 0, 1) direction. Tb3+ is bonded in a 10-coordinate geometry to seven H1- and three equivalent Br1- atoms. There are a spread of Tb–H bond distances ranging from 2.19–2.40 Å. All Tb–Br bond lengths are 2.92 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Tb3+ atoms. In the second H1- site, H1- is bonded to four equivalent Tb3+ atoms to form a mixture of corner and edge-sharing HTb4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent Tb3+ atoms.},

  doi          = {10.17188/1280169},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280169

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