Materials Data on BaCO3 by Materials Project

doi:10.17188/1741140

Title: Materials Data on BaCO3 by Materials Project

Abstract

BaCO3 is Calcite-like structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form distorted corner-sharing BaO6 pentagonal pyramids. All Ba–O bond lengths are 2.74 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and one C4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1227982

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; BaCO3; Ba-C-O

OSTI Identifier:: 1741140

DOI:: https://doi.org/10.17188/1741140

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                    The Materials Project. Materials Data on BaCO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741140.

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                    The Materials Project. Materials Data on BaCO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741140

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                    The Materials Project. 2020.  
"Materials Data on BaCO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741140.  https://www.osti.gov/servlets/purl/1741140. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1741140,

  title        = {Materials Data on BaCO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaCO3 is Calcite-like structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent O2- atoms to form distorted corner-sharing BaO6 pentagonal pyramids. All Ba–O bond lengths are 2.74 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and one C4+ atom.},

  doi          = {10.17188/1741140},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1741140

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Works referenced in this record:

Characterization of a new SO2−4-stabilized phase of BaCO3
journal, July 1987

Nishino, Tadashi; Sakurai, Tadashi; Ishizawa, Nobuo
Journal of Solid State Chemistry, Vol. 69, Issue 1
https://doi.org/10.1016/0022-4596(87)90005-3

Synthesis, Crystal Structure, and Electrical Properties of a New Quaternary Manganese Mixed Sulfide, BaLa2MnS5
journal, September 1999

Masuda, Hidetoshi; Fujino, Takeo; Sato, Nobuaki
Journal of Solid State Chemistry, Vol. 146, Issue 2
https://doi.org/10.1006/jssc.1999.8356

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Similar Records

Title: Materials Data on BaCO3 by Materials Project

Abstract

Citation Formats

Characterization of a new SO2−4-stabilized phase of BaCO3 journal, July 1987

Synthesis, Crystal Structure, and Electrical Properties of a New Quaternary Manganese Mixed Sulfide, BaLa2MnS5 journal, September 1999

Characterization of a new SO2−4-stabilized phase of BaCO3
journal, July 1987

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journal, September 1999