Materials Data on KUVIO10 by Materials Project
Abstract
KUVO10I crystallizes in the orthorhombic Pba2 space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.79–3.29 Å. U is bonded to six O atoms to form distorted UO6 octahedra that share corners with four equivalent IO6 octahedra. The corner-sharing octahedra tilt angles range from 42–54°. There are a spread of U–O bond distances ranging from 1.81–2.39 Å. V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.63–2.47 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one U, one V, and one I atom. The O–I bond length is 1.89 Å. In the second O site, O is bonded in a water-like geometry to one V and one I atom. The O–I bond length is 1.91 Å. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one V atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one U atom.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1204908
- 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; KUVIO10; I-K-O-U-V
- OSTI Identifier:
- 1694960
- DOI:
- https://doi.org/10.17188/1694960
Citation Formats
The Materials Project. Materials Data on KUVIO10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1694960.
The Materials Project. Materials Data on KUVIO10 by Materials Project. United States. doi:https://doi.org/10.17188/1694960
The Materials Project. 2020.
"Materials Data on KUVIO10 by Materials Project". United States. doi:https://doi.org/10.17188/1694960. https://www.osti.gov/servlets/purl/1694960. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1694960,
title = {Materials Data on KUVIO10 by Materials Project},
author = {The Materials Project},
abstractNote = {KUVO10I crystallizes in the orthorhombic Pba2 space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.79–3.29 Å. U is bonded to six O atoms to form distorted UO6 octahedra that share corners with four equivalent IO6 octahedra. The corner-sharing octahedra tilt angles range from 42–54°. There are a spread of U–O bond distances ranging from 1.81–2.39 Å. V is bonded in a 6-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.63–2.47 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one U, one V, and one I atom. The O–I bond length is 1.89 Å. In the second O site, O is bonded in a water-like geometry to one V and one I atom. The O–I bond length is 1.91 Å. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one V atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one U atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to one U, one V, and one I atom. The O–I bond length is 1.93 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to one K and one U atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one K, one V, and one I atom. The O–I bond length is 1.96 Å. In the eighth O site, O is bonded in a bent 150 degrees geometry to two equivalent K atoms. In the ninth O site, O is bonded in a bent 150 degrees geometry to two equivalent V atoms. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one K, one U, and one I atom. The O–I bond length is 1.87 Å. In the eleventh O site, O is bonded in a 3-coordinate geometry to one K, one U, and one I atom. The O–I bond length is 1.87 Å. I is bonded to six O atoms to form IO6 octahedra that share corners with four equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 42–54°.},
doi = {10.17188/1694960},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}