U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on DyCu(WO4)2 by Materials Project
Abstract
DyCu(WO4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Dy3+ is bonded to six O2- atoms to form DyO6 octahedra that share corners with eight WO6 octahedra. The corner-sharing octahedra tilt angles range from 32–56°. There are a spread of Dy–O bond distances ranging from 2.27–2.32 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent DyO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 36–54°. There are a spread of W–O bond distances ranging from 1.82–2.18 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent DyO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 32–56°. There are a spread of W–O bond distances ranging from 1.82–2.20 Å. Cu1+ is bonded in a distorted linear geometry to three O2- atoms. There are two shorter (1.85 Å) and one longer (2.57 Å) Cu–O bond lengths. There are eight inequivalent O2- sites. In the first O2- site, O2- is bondedmore »
- Publication Date:
- Other Number(s):
- mp-1181628
- 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; Cu-Dy-O-W; DyCu(WO4)2; crystal structure
- OSTI Identifier:
- 1696534
- DOI:
- https://doi.org/10.17188/1696534
Citation Formats
Materials Data on DyCu(WO4)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1696534.
Materials Data on DyCu(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1696534
2019.
"Materials Data on DyCu(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1696534. https://www.osti.gov/servlets/purl/1696534. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1696534,
title = {Materials Data on DyCu(WO4)2 by Materials Project},
abstractNote = {DyCu(WO4)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Dy3+ is bonded to six O2- atoms to form DyO6 octahedra that share corners with eight WO6 octahedra. The corner-sharing octahedra tilt angles range from 32–56°. There are a spread of Dy–O bond distances ranging from 2.27–2.32 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent DyO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 36–54°. There are a spread of W–O bond distances ranging from 1.82–2.18 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent DyO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 32–56°. There are a spread of W–O bond distances ranging from 1.82–2.20 Å. Cu1+ is bonded in a distorted linear geometry to three O2- atoms. There are two shorter (1.85 Å) and one longer (2.57 Å) Cu–O bond lengths. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Dy3+ and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Dy3+, one W6+, and one Cu1+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Dy3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Dy3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two W6+ and one Cu1+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Dy3+ and two W6+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Dy3+ and two W6+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two W6+ and one Cu1+ atom.},
doi = {10.17188/1696534},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jan 11 04:00:00 UTC 2019},
month = {Fri Jan 11 04:00:00 UTC 2019}
}