Materials Data on Sr8SnPb3O16 by Materials Project

doi:10.17188/1684578

Title: Materials Data on Sr8SnPb3O16 by Materials Project

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Abstract

Sr8Pb3SnO16 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.37–3.03 Å. In the second Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–3.03 Å. In the third Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.37–3.03 Å. There are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded to six O2- atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.13 Å) and two longer (2.18 Å) Pb–O bond lengths. In the second Pb4+ site, Pb4+ is bonded to six O2- atoms to form PbO6 octahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.15 Å) and four longer (2.18 Å) Pb–O bond lengths. Sn4+ is bonded to sixmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1218629

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; Sr8SnPb3O16; O-Pb-Sn-Sr

OSTI Identifier:: 1684578

DOI:: https://doi.org/10.17188/1684578

Citation Formats


                    The Materials Project. Materials Data on Sr8SnPb3O16 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1684578.

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                    The Materials Project. Materials Data on Sr8SnPb3O16 by Materials Project.  United States.  doi:https://doi.org/10.17188/1684578

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                    The Materials Project. 2020.  
"Materials Data on Sr8SnPb3O16 by Materials Project".  United States.  doi:https://doi.org/10.17188/1684578.  https://www.osti.gov/servlets/purl/1684578. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1684578,

  title        = {Materials Data on Sr8SnPb3O16 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr8Pb3SnO16 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.37–3.03 Å. In the second Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.39–3.03 Å. In the third Sr2+ site, Sr2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.37–3.03 Å. There are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded to six O2- atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.13 Å) and two longer (2.18 Å) Pb–O bond lengths. In the second Pb4+ site, Pb4+ is bonded to six O2- atoms to form PbO6 octahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.15 Å) and four longer (2.18 Å) Pb–O bond lengths. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with four equivalent PbO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–O bond lengths are 2.08 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to five Sr2+ and one Sn4+ atom. In the second O2- site, O2- is bonded to five Sr2+ and one Pb4+ atom to form distorted OSr5Pb octahedra that share corners with seventeen OSr4Pb2 octahedra, edges with four equivalent OSr5Pb octahedra, and faces with four equivalent OSr4SnPb octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the third O2- site, O2- is bonded to five Sr2+ and one Pb4+ atom to form distorted OSr5Pb octahedra that share corners with seventeen OSr5Pb octahedra, edges with six OSr5Pb octahedra, and faces with four equivalent OSr4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the fourth O2- site, O2- is bonded to four equivalent Sr2+, one Pb4+, and one Sn4+ atom to form distorted OSr4SnPb octahedra that share corners with ten OSr5Pb octahedra, edges with two equivalent OSr4SnPb octahedra, and faces with six OSr5Pb octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the fifth O2- site, O2- is bonded to four Sr2+ and two equivalent Pb4+ atoms to form a mixture of face, edge, and corner-sharing OSr4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°.},

  doi          = {10.17188/1684578},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1684578

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