U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2U(SO6)2 by Materials Project
Abstract
K2U(SO6)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.78–3.14 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.73–3.09 Å. U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with four equivalent SO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.45 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of S–O bond distances ranging from 1.46–1.53 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two K and one S atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one U and one S atom. In the third O site, O is bonded in a 1-coordinate geometry tomore »
- Publication Date:
- Other Number(s):
- mp-1199364
- 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-S-U; K2U(SO6)2; crystal structure
- OSTI Identifier:
- 1677162
- DOI:
- https://doi.org/10.17188/1677162
Citation Formats
Materials Data on K2U(SO6)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1677162.
Materials Data on K2U(SO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1677162
2020.
"Materials Data on K2U(SO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1677162. https://www.osti.gov/servlets/purl/1677162. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1677162,
title = {Materials Data on K2U(SO6)2 by Materials Project},
abstractNote = {K2U(SO6)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.78–3.14 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.73–3.09 Å. U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with four equivalent SO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.45 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids. There are a spread of S–O bond distances ranging from 1.46–1.53 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two K and one S atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one U and one S atom. In the third O site, O is bonded in a 1-coordinate geometry to one K, one U, and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two K and one U atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. In the sixth O site, O is bonded in a distorted T-shaped geometry to three K atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to two K and one S atom.},
doi = {10.17188/1677162},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 00:00:00 EDT 2020},
month = {Fri May 01 00:00:00 EDT 2020}
}