U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CdWO4 by Materials Project
Abstract
CdWO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with eight equivalent CdO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 40–57°. There are a spread of W–O bond distances ranging from 1.83–2.14 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 40–57°. There are a spread of Cd–O bond distances ranging from 2.27–2.44 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Cd2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Cd2+ atoms.
- Publication Date:
- Other Number(s):
- mp-19387
- 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-O-W; CdWO4; crystal structure
- OSTI Identifier:
- 1194394
- DOI:
- https://doi.org/10.17188/1194394
Citation Formats
Materials Data on CdWO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1194394.
Materials Data on CdWO4 by Materials Project. United States. doi:https://doi.org/10.17188/1194394
2020.
"Materials Data on CdWO4 by Materials Project". United States. doi:https://doi.org/10.17188/1194394. https://www.osti.gov/servlets/purl/1194394. Pub date:Mon Jul 13 20:00:00 EDT 2020
@article{osti_1194394,
title = {Materials Data on CdWO4 by Materials Project},
abstractNote = {CdWO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with eight equivalent CdO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 40–57°. There are a spread of W–O bond distances ranging from 1.83–2.14 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 40–57°. There are a spread of Cd–O bond distances ranging from 2.27–2.44 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Cd2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Cd2+ atoms.},
doi = {10.17188/1194394},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}