Materials Data on TbCO3 by Materials Project

doi:10.17188/1290103

Title: Materials Data on TbCO3 by Materials Project

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Abstract

TbCO3 is Potassium chlorate-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.31–2.63 Å. In the second Tb4+ site, Tb4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.31–2.57 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.39 Å) and one longer (1.42 Å) C–O bond length. In the second C2+ site, C2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.41 Å) C–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Tb4+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Tb4+ and one C2+ atom. In the third O2- site, O2- ismore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-755605

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; TbCO3; C-O-Tb

OSTI Identifier:: 1290103

DOI:: https://doi.org/10.17188/1290103

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                    The Materials Project. Materials Data on TbCO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290103.

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                    The Materials Project. Materials Data on TbCO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290103

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                    The Materials Project. 2020.  
"Materials Data on TbCO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290103.  https://www.osti.gov/servlets/purl/1290103. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1290103,

  title        = {Materials Data on TbCO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbCO3 is Potassium chlorate-like structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.31–2.63 Å. In the second Tb4+ site, Tb4+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.31–2.57 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.39 Å) and one longer (1.42 Å) C–O bond length. In the second C2+ site, C2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.38 Å) and two longer (1.41 Å) C–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Tb4+ and one C2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Tb4+ and one C2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Tb4+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Tb4+ and one C2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Tb4+ and one C2+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Tb4+ and one C2+ atom.},

  doi          = {10.17188/1290103},

  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/10.17188/1290103

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