Materials Data on Ca2BiSbO6 by Materials Project

doi:10.17188/1320800

Title: Materials Data on Ca2BiSbO6 by Materials Project

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Abstract

Ca2BiSbO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.35–2.95 Å. In the second Ca2+ site, Ca2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.25–2.88 Å. Bi3+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with two equivalent BiO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 38–47°. There are a spread of Bi–O bond distances ranging from 2.25–2.40 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 38–40°. There are a spread of Sb–O bond distances ranging from 2.00–2.19 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+, one Bi3+, and one Sb5+ atom. In the second O2- site, O2- ismore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mvc-3973

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; Ca2BiSbO6; Bi-Ca-O-Sb

OSTI Identifier:: 1320800

DOI:: https://doi.org/10.17188/1320800

Citation Formats


                    The Materials Project. Materials Data on Ca2BiSbO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1320800.

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                    The Materials Project. Materials Data on Ca2BiSbO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1320800

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                    The Materials Project. 2020.  
"Materials Data on Ca2BiSbO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1320800.  https://www.osti.gov/servlets/purl/1320800. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1320800,

  title        = {Materials Data on Ca2BiSbO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca2BiSbO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.35–2.95 Å. In the second Ca2+ site, Ca2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.25–2.88 Å. Bi3+ is bonded to six O2- atoms to form BiO6 octahedra that share corners with two equivalent BiO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 38–47°. There are a spread of Bi–O bond distances ranging from 2.25–2.40 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent BiO6 octahedra. The corner-sharing octahedra tilt angles range from 38–40°. There are a spread of Sb–O bond distances ranging from 2.00–2.19 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+, one Bi3+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Ca2+, one Bi3+, and one Sb5+ atom. In the third O2- site, O2- is bonded to two Ca2+ and two equivalent Sb5+ atoms to form distorted OCa2Sb2 tetrahedra that share corners with two equivalent OCa2Sb2 tetrahedra and corners with two equivalent OCa2Bi2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two Ca2+ and two equivalent Bi3+ atoms to form distorted OCa2Bi2 trigonal pyramids that share corners with two equivalent OCa2Sb2 tetrahedra and corners with two equivalent OCa2Bi2 trigonal pyramids.},

  doi          = {10.17188/1320800},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1320800

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