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Title: Materials Data on Sr4SnPbO8 by Materials Project

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 » 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°.« less

Authors:
Publication Date:
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.
The Materials Project. Materials Data on Sr4SnPbO8 by Materials Project. United States. doi:https://doi.org/10.17188/1711629
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
@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 = {2020},
month = {5}
}