U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaTi4(PdO4)3 by Materials Project
Abstract
CaTi4(PdO4)3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share faces with eight equivalent TiO6 octahedra. All Ca–O bond lengths are 2.61 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with two equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 37°. All Ti–O bond lengths are 2.00 Å. Pd2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.07 Å. O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent Ti4+, and one Pd2+ atom.
- Publication Date:
- Other Number(s):
- mp-1105917
- 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-Pd-Ti; CaTi4(PdO4)3; crystal structure
- OSTI Identifier:
- 1686957
- DOI:
- https://doi.org/10.17188/1686957
Citation Formats
Materials Data on CaTi4(PdO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1686957.
Materials Data on CaTi4(PdO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1686957
2020.
"Materials Data on CaTi4(PdO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1686957. https://www.osti.gov/servlets/purl/1686957. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1686957,
title = {Materials Data on CaTi4(PdO4)3 by Materials Project},
abstractNote = {CaTi4(PdO4)3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share faces with eight equivalent TiO6 octahedra. All Ca–O bond lengths are 2.61 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with two equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 37°. All Ti–O bond lengths are 2.00 Å. Pd2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.07 Å. O2- is bonded in a 4-coordinate geometry to one Ca2+, two equivalent Ti4+, and one Pd2+ atom.},
doi = {10.17188/1686957},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 04:00:00 UTC 2020},
month = {Sun May 03 04:00:00 UTC 2020}
}
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