U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2U7O22 by Materials Project
Abstract
K2U7O22 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.33 Å. There are four inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with four equivalent UO6 octahedra and corners with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 52°. There are a spread of U–O bond distances ranging from 1.93–2.27 Å. In the second U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO6 octahedra and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 30°. There are a spread of U–O bond distances ranging from 1.84–2.56 Å. In the third U6+ site, U6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.91–2.63 Å. In the fourth U6+ site, U6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing UO6 octahedra. The corner-sharing octahedral tiltmore »
- Publication Date:
- Other Number(s):
- mp-540610
- 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; K-O-U; K2U7O22; crystal structure
- OSTI Identifier:
- 1264414
- DOI:
- https://doi.org/10.17188/1264414
Citation Formats
Materials Data on K2U7O22 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264414.
Materials Data on K2U7O22 by Materials Project. United States. doi:https://doi.org/10.17188/1264414
2020.
"Materials Data on K2U7O22 by Materials Project". United States. doi:https://doi.org/10.17188/1264414. https://www.osti.gov/servlets/purl/1264414. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1264414,
title = {Materials Data on K2U7O22 by Materials Project},
abstractNote = {K2U7O22 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.79–3.33 Å. There are four inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with four equivalent UO6 octahedra and corners with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 52°. There are a spread of U–O bond distances ranging from 1.93–2.27 Å. In the second U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share a cornercorner with one UO6 octahedra and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 30°. There are a spread of U–O bond distances ranging from 1.84–2.56 Å. In the third U6+ site, U6+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 1.91–2.63 Å. In the fourth U6+ site, U6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are a spread of U–O bond distances ranging from 1.80–2.40 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three U6+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three U6+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three U6+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three U6+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three U6+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one U6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one K1+ and one U6+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one U6+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one K1+ and two U6+ atoms.},
doi = {10.17188/1264414},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}