Materials Data on LaCoSbPbO6 by Materials Project

doi:10.17188/1740774

Title: Materials Data on LaCoSbPbO6 by Materials Project

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Abstract

LaPbCoSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.85 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 21–31°. There are a spread of Co–O bond distances ranging from 2.11–2.18 Å. Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.48 Å) and two longer (2.53 Å) Pb–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 21–31°. There are a spread of Sb–O bond distances ranging from 2.01–2.03 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Co2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one La3+, one Co2+, one Pb2+, and one Sb5+ atom. In the third O2- site, O2- ismore »« less

Authors:: The Materials Project

Publication Date:: Fri Jun 05 00:00:00 EDT 2020

Other Number(s):: mp-1223180

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; LaCoSbPbO6; Co-La-O-Pb-Sb

OSTI Identifier:: 1740774

DOI:: https://doi.org/10.17188/1740774

Citation Formats


                    The Materials Project. Materials Data on LaCoSbPbO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740774.

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                    The Materials Project. Materials Data on LaCoSbPbO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740774

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                    The Materials Project. 2020.  
"Materials Data on LaCoSbPbO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740774.  https://www.osti.gov/servlets/purl/1740774. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1740774,

  title        = {Materials Data on LaCoSbPbO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaPbCoSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.43–2.85 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 21–31°. There are a spread of Co–O bond distances ranging from 2.11–2.18 Å. Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.48 Å) and two longer (2.53 Å) Pb–O bond lengths. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 21–31°. There are a spread of Sb–O bond distances ranging from 2.01–2.03 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Co2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one La3+, one Co2+, one Pb2+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Co2+, and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent La3+, one Co2+, one Pb2+, and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent La3+, one Co2+, one Pb2+, and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Co2+, and one Sb5+ atom.},

  doi          = {10.17188/1740774},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jun 05 00:00:00 EDT 2020},

  month        = {Fri Jun 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1740774

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