U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrCaPbO4 by Materials Project
Abstract
SrCaPbO4 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.84 Å. Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.42–2.92 Å. There are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.15 Å) and four longer (2.31 Å) Pb–O bond lengths. In the second Pb4+ site, Pb4+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.17 Å) and four longer (2.29 Å) Pb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Ca2+, and one Pb4+ atom to form distorted OSr2Ca2Pb trigonal bipyramids that share corners with four equivalent OSr2Ca2Pb square pyramids, corners with five OSrCa2Pb2 trigonal bipyramids, edges with two equivalent OSr2Ca2Pb square pyramids, and edges with eight OSrCa2Pb2 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Sr2+, two equivalentmore »
- Publication Date:
- Other Number(s):
- mp-1218368
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ca-O-Pb-Sr; SrCaPbO4; crystal structure
- OSTI Identifier:
- 1695877
- DOI:
- https://doi.org/10.17188/1695877
Citation Formats
Materials Data on SrCaPbO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1695877.
Materials Data on SrCaPbO4 by Materials Project. United States. doi:https://doi.org/10.17188/1695877
2020.
"Materials Data on SrCaPbO4 by Materials Project". United States. doi:https://doi.org/10.17188/1695877. https://www.osti.gov/servlets/purl/1695877. Pub date:Mon May 04 04:00:00 UTC 2020
@article{osti_1695877,
title = {Materials Data on SrCaPbO4 by Materials Project},
abstractNote = {SrCaPbO4 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.84 Å. Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.42–2.92 Å. There are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.15 Å) and four longer (2.31 Å) Pb–O bond lengths. In the second Pb4+ site, Pb4+ is bonded to six O2- atoms to form edge-sharing PbO6 octahedra. There are two shorter (2.17 Å) and four longer (2.29 Å) Pb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Ca2+, and one Pb4+ atom to form distorted OSr2Ca2Pb trigonal bipyramids that share corners with four equivalent OSr2Ca2Pb square pyramids, corners with five OSrCa2Pb2 trigonal bipyramids, edges with two equivalent OSr2Ca2Pb square pyramids, and edges with eight OSrCa2Pb2 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Ca2+, and one Pb4+ atom to form distorted OSr2Ca2Pb square pyramids that share a cornercorner with one OSr2Ca2Pb square pyramid, corners with eight OSrCa2Pb2 trigonal bipyramids, edges with two equivalent OSr2Ca2Pb square pyramids, and edges with eight OSrCa2Pb2 trigonal bipyramids. In the third O2- site, O2- is bonded to one Sr2+, two equivalent Ca2+, and two equivalent Pb4+ atoms to form distorted OSrCa2Pb2 trigonal bipyramids that share corners with two equivalent OSr2Ca2Pb square pyramids, corners with ten OSrCa2Pb2 trigonal bipyramids, edges with four equivalent OSr2Ca2Pb square pyramids, and edges with four OSrCa2Pb2 trigonal bipyramids. In the fourth O2- site, O2- is bonded to two equivalent Sr2+, one Ca2+, and two equivalent Pb4+ atoms to form distorted OSr2CaPb2 trigonal bipyramids that share corners with two equivalent OSr2Ca2Pb square pyramids, corners with ten OSrCa2Pb2 trigonal bipyramids, edges with two equivalent OSr2Ca2Pb square pyramids, and edges with six OSr2CaPb2 trigonal bipyramids.},
doi = {10.17188/1695877},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}