U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HfCdO3 by Materials Project
Abstract
CdHfO3 is Pb(Zr_(1-x)Ti_x)O3 structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Hf4+ is bonded to six O2- atoms to form distorted corner-sharing HfO6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are a spread of Hf–O bond distances ranging from 1.98–2.27 Å. Cd2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Cd–O bond lengths are 2.39 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Hf4+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Hf4+ atoms.
- Publication Date:
- Other Number(s):
- mp-1206943
- 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; Cd-Hf-O; HfCdO3; crystal structure
- OSTI Identifier:
- 1699685
- DOI:
- https://doi.org/10.17188/1699685
Citation Formats
Materials Data on HfCdO3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1699685.
Materials Data on HfCdO3 by Materials Project. United States. doi:https://doi.org/10.17188/1699685
2019.
"Materials Data on HfCdO3 by Materials Project". United States. doi:https://doi.org/10.17188/1699685. https://www.osti.gov/servlets/purl/1699685. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1699685,
title = {Materials Data on HfCdO3 by Materials Project},
abstractNote = {CdHfO3 is Pb(Zr_(1-x)Ti_x)O3 structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Hf4+ is bonded to six O2- atoms to form distorted corner-sharing HfO6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are a spread of Hf–O bond distances ranging from 1.98–2.27 Å. Cd2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Cd–O bond lengths are 2.39 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent Hf4+ and two equivalent Cd2+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Hf4+ atoms.},
doi = {10.17188/1699685},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
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