U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiCdO3 by Materials Project
Abstract
CdTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form distorted TiO6 octahedra that share corners with nine equivalent CdO6 pentagonal pyramids, edges with three equivalent TiO6 octahedra, and a faceface with one CdO6 pentagonal pyramid. There are three shorter (1.90 Å) and three longer (2.11 Å) Ti–O bond lengths. Cd2+ is bonded to six equivalent O2- atoms to form distorted CdO6 pentagonal pyramids that share corners with nine equivalent TiO6 octahedra, edges with three equivalent CdO6 pentagonal pyramids, and a faceface with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 40–62°. There are three shorter (2.25 Å) and three longer (2.45 Å) Cd–O bond lengths. O2- is bonded in a 4-coordinate geometry to two equivalent Ti4+ and two equivalent Cd2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-13641
- 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; TiCdO3; Cd-O-Ti
- OSTI Identifier:
- 1189698
- DOI:
- https://doi.org/10.17188/1189698
Citation Formats
The Materials Project. Materials Data on TiCdO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189698.
The Materials Project. Materials Data on TiCdO3 by Materials Project. United States. doi:https://doi.org/10.17188/1189698
The Materials Project. 2020.
"Materials Data on TiCdO3 by Materials Project". United States. doi:https://doi.org/10.17188/1189698. https://www.osti.gov/servlets/purl/1189698. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1189698,
title = {Materials Data on TiCdO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CdTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form distorted TiO6 octahedra that share corners with nine equivalent CdO6 pentagonal pyramids, edges with three equivalent TiO6 octahedra, and a faceface with one CdO6 pentagonal pyramid. There are three shorter (1.90 Å) and three longer (2.11 Å) Ti–O bond lengths. Cd2+ is bonded to six equivalent O2- atoms to form distorted CdO6 pentagonal pyramids that share corners with nine equivalent TiO6 octahedra, edges with three equivalent CdO6 pentagonal pyramids, and a faceface with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 40–62°. There are three shorter (2.25 Å) and three longer (2.45 Å) Cd–O bond lengths. O2- is bonded in a 4-coordinate geometry to two equivalent Ti4+ and two equivalent Cd2+ atoms.},
doi = {10.17188/1189698},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}