Materials Data on Sr4SnPbO8 by Materials Project

doi:10.17188/1711629

Title: Materials Data on Sr4SnPbO8 by Materials Project

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Abstract

Sr4PbSnO8 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two 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 2.38–2.99 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 2.40–2.99 Å. 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 (2.10 Å) and two longer (2.18 Å) Pb–O bond lengths. Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.06 Å) and four longer (2.10 Å) Sn–O bond lengths. There are four 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 OSr5Pb octahedra, edges with fourmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1208734

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; Sr4SnPbO8; O-Pb-Sn-Sr

OSTI Identifier:: 1711629

DOI:: https://doi.org/10.17188/1711629

Citation Formats


                    The Materials Project. Materials Data on Sr4SnPbO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711629.

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                    The Materials Project. Materials Data on Sr4SnPbO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711629

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                    The Materials Project. 2020.  
"Materials Data on Sr4SnPbO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711629.  https://www.osti.gov/servlets/purl/1711629. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1711629,

  title        = {Materials Data on Sr4SnPbO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr4PbSnO8 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two 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 2.38–2.99 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 2.40–2.99 Å. 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 (2.10 Å) and two longer (2.18 Å) Pb–O bond lengths. Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.06 Å) and four longer (2.10 Å) Sn–O bond lengths. There are four 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 OSr5Pb octahedra, edges with four equivalent OSr5Pb octahedra, and faces with four equivalent OSr4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–54°. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Sn4+ atoms to form distorted OSr4Sn2 octahedra that share corners with six OSr5Pb octahedra, edges with two equivalent OSr4Sn2 octahedra, and faces with four equivalent OSr4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–49°. In the fourth O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Pb4+ atoms to form distorted OSr4Pb2 octahedra that share corners with ten OSr5Pb octahedra, edges with two equivalent OSr4Pb2 octahedra, and faces with eight OSr5Pb octahedra. The corner-sharing octahedra tilt angles range from 0–54°.},

  doi          = {10.17188/1711629},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1711629

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