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 Pnma space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.72–3.02 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 1.81–2.40 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 1.47–1.53 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent K atoms. In the second O site, O is bonded in a 1-coordinate geometry to one K, one U, and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In the fifth O site, O is bonded in a single-bond geometry to one U atom. Inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-867931
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; K2U(SO6)2; K-O-S-U
- OSTI Identifier:
- 1312287
- DOI:
- https://doi.org/10.17188/1312287
Citation Formats
The Materials Project. Materials Data on K2U(SO6)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312287.
The Materials Project. Materials Data on K2U(SO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1312287
The Materials Project. 2020.
"Materials Data on K2U(SO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1312287. https://www.osti.gov/servlets/purl/1312287. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1312287,
title = {Materials Data on K2U(SO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2U(SO6)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.72–3.02 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 1.81–2.40 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 1.47–1.53 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent K atoms. In the second O site, O is bonded in a 1-coordinate geometry to one K, one U, and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one S atom. In the fourth O site, O is bonded in a single-bond geometry to 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 single-bond geometry to two equivalent K and one S atom. In the seventh O site, O is bonded in a single-bond geometry to one U atom. In the eighth O site, O is bonded in a 1-coordinate geometry to one K, one U, and one S atom.},
doi = {10.17188/1312287},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}