Materials Data on Tb5(SiB4)2 by Materials Project

doi:10.17188/1740463

Title: Materials Data on Tb5(SiB4)2 by Materials Project

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Abstract

Tb5Si2B8 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional and consists of four silicon molecules and one Tb5B8 framework. In the Tb5B8 framework, there are two inequivalent Tb+3.20+ sites. In the first Tb+3.20+ site, Tb+3.20+ is bonded in a 9-coordinate geometry to nine B3- atoms. There are a spread of Tb–B bond distances ranging from 2.65–2.98 Å. In the second Tb+3.20+ site, Tb+3.20+ is bonded in a linear geometry to two equivalent B3- atoms. Both Tb–B bond lengths are 2.76 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Tb+3.20+ and five B3- atoms. There are a spread of B–B bond distances ranging from 1.76–1.84 Å. In the second B3- site, B3- is bonded in a 3-coordinate geometry to six equivalent Tb+3.20+ and three B3- atoms. The B–B bond length is 1.85 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to five Tb+3.20+ and four equivalent B3- atoms.

Publication Date:: 2020-04-30

Other Number(s):: mp-1208405

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; B-Si-Tb; Tb5(SiB4)2; crystal structure

OSTI Identifier:: 1740463

DOI:: https://doi.org/10.17188/1740463

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                    Materials Data on Tb5(SiB4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740463.

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                    Materials Data on Tb5(SiB4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740463

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                    2020.  
"Materials Data on Tb5(SiB4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740463.  https://www.osti.gov/servlets/purl/1740463. Pub date:Thu Apr 30 04:00:00 UTC 2020

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@article{osti_1740463,

  title        = {Materials Data on Tb5(SiB4)2 by Materials Project},

  
  abstractNote = {Tb5Si2B8 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional and consists of four silicon molecules and one Tb5B8 framework. In the Tb5B8 framework, there are two inequivalent Tb+3.20+ sites. In the first Tb+3.20+ site, Tb+3.20+ is bonded in a 9-coordinate geometry to nine B3- atoms. There are a spread of Tb–B bond distances ranging from 2.65–2.98 Å. In the second Tb+3.20+ site, Tb+3.20+ is bonded in a linear geometry to two equivalent B3- atoms. Both Tb–B bond lengths are 2.76 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Tb+3.20+ and five B3- atoms. There are a spread of B–B bond distances ranging from 1.76–1.84 Å. In the second B3- site, B3- is bonded in a 3-coordinate geometry to six equivalent Tb+3.20+ and three B3- atoms. The B–B bond length is 1.85 Å. In the third B3- site, B3- is bonded in a 9-coordinate geometry to five Tb+3.20+ and four equivalent B3- atoms.},

  doi          = {10.17188/1740463},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1740463

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