Materials Data on Tb11O20 by Materials Project

doi:10.17188/1269153

Title: Materials Data on Tb11O20 by Materials Project

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Abstract

Tb11O20 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Tb+3.64+ sites. In the first Tb+3.64+ site, Tb+3.64+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing TbO7 pentagonal bipyramids. There are a spread of Tb–O bond distances ranging from 2.29–2.36 Å. In the second Tb+3.64+ site, Tb+3.64+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.30–2.65 Å. In the third Tb+3.64+ site, Tb+3.64+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.30–2.43 Å. In the fourth Tb+3.64+ site, Tb+3.64+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing TbO7 hexagonal pyramids. There are a spread of Tb–O bond distances ranging from 2.30–2.36 Å. In the fifth Tb+3.64+ site, Tb+3.64+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing TbO7 hexagonal pyramids. There are a spread of Tb–O bond distances ranging from 2.29–2.37 Å. In the sixth Tb+3.64+ site, Tb+3.64+ is bonded in a body-centered cubic geometry to eight O2- atoms.more »« less

Authors:: The Materials Project

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

Other Number(s):: mp-556069

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; Tb11O20; O-Tb

OSTI Identifier:: 1269153

DOI:: https://doi.org/10.17188/1269153

Citation Formats


                    The Materials Project. Materials Data on Tb11O20 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269153.

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                    The Materials Project. Materials Data on Tb11O20 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269153

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                    The Materials Project. 2020.  
"Materials Data on Tb11O20 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269153.  https://www.osti.gov/servlets/purl/1269153. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1269153,

  title        = {Materials Data on Tb11O20 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb11O20 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Tb+3.64+ sites. In the first Tb+3.64+ site, Tb+3.64+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing TbO7 pentagonal bipyramids. There are a spread of Tb–O bond distances ranging from 2.29–2.36 Å. In the second Tb+3.64+ site, Tb+3.64+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.30–2.65 Å. In the third Tb+3.64+ site, Tb+3.64+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.30–2.43 Å. In the fourth Tb+3.64+ site, Tb+3.64+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing TbO7 hexagonal pyramids. There are a spread of Tb–O bond distances ranging from 2.30–2.36 Å. In the fifth Tb+3.64+ site, Tb+3.64+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing TbO7 hexagonal pyramids. There are a spread of Tb–O bond distances ranging from 2.29–2.37 Å. In the sixth Tb+3.64+ site, Tb+3.64+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.31–2.51 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the second O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of distorted corner and edge-sharing OTb4 tetrahedra. In the third O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of distorted corner and edge-sharing OTb4 tetrahedra. In the fourth O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of distorted corner and edge-sharing OTb4 tetrahedra. In the fifth O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the sixth O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the seventh O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the eighth O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to four Tb+3.64+ atoms. In the tenth O2- site, O2- is bonded to four Tb+3.64+ atoms to form a mixture of corner and edge-sharing OTb4 tetrahedra.},

  doi          = {10.17188/1269153},

  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/10.17188/1269153

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