U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2KU2(Si2O7)2 by Materials Project
Abstract
Cs2KU2(Si2O7)2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (3.31 Å) and two longer (3.39 Å) Cs–O bond lengths. K1+ is bonded in a distorted q6 geometry to ten O2- atoms. All K–O bond lengths are 2.93 Å. U+4.50+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra and corners with four equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 2°. There are two shorter (2.14 Å) and four longer (2.25 Å) U–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent UO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 29°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one K1+ and two equivalent U+4.50+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bondedmore »
- Publication Date:
- Other Number(s):
- mp-862811
- 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; Cs-K-O-Si-U; Cs2KU2(Si2O7)2; crystal structure
- OSTI Identifier:
- 1309634
- DOI:
- https://doi.org/10.17188/1309634
Citation Formats
Materials Data on Cs2KU2(Si2O7)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1309634.
Materials Data on Cs2KU2(Si2O7)2 by Materials Project. United States. doi:https://doi.org/10.17188/1309634
2020.
"Materials Data on Cs2KU2(Si2O7)2 by Materials Project". United States. doi:https://doi.org/10.17188/1309634. https://www.osti.gov/servlets/purl/1309634. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1309634,
title = {Materials Data on Cs2KU2(Si2O7)2 by Materials Project},
abstractNote = {Cs2KU2(Si2O7)2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (3.31 Å) and two longer (3.39 Å) Cs–O bond lengths. K1+ is bonded in a distorted q6 geometry to ten O2- atoms. All K–O bond lengths are 2.93 Å. U+4.50+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra and corners with four equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 2°. There are two shorter (2.14 Å) and four longer (2.25 Å) U–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent UO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedral tilt angles are 29°. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one K1+ and two equivalent U+4.50+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one K1+, one U+4.50+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Cs1+ and two equivalent Si4+ atoms.},
doi = {10.17188/1309634},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}