U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K9U6BiO24 by Materials Project
Abstract
K9U6BiO24 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six equivalent O2- atoms to form KO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–O bond lengths are 2.50 Å. In the second K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, a faceface with one KO6 octahedra, a faceface with one BiO6 octahedra, and faces with six UO6 octahedra. There are a spread of K–O bond distances ranging from 3.09–3.13 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent KO6 octahedra, corners with four equivalent UO6 octahedra, and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.89 Å) and four longer (2.24 Å) U–O bond lengths. In the second U6+ site, U6+ ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-558206
- 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; K9U6BiO24; Bi-K-O-U
- OSTI Identifier:
- 1270220
- DOI:
- https://doi.org/10.17188/1270220
Citation Formats
The Materials Project. Materials Data on K9U6BiO24 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270220.
The Materials Project. Materials Data on K9U6BiO24 by Materials Project. United States. doi:https://doi.org/10.17188/1270220
The Materials Project. 2020.
"Materials Data on K9U6BiO24 by Materials Project". United States. doi:https://doi.org/10.17188/1270220. https://www.osti.gov/servlets/purl/1270220. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1270220,
title = {Materials Data on K9U6BiO24 by Materials Project},
author = {The Materials Project},
abstractNote = {K9U6BiO24 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six equivalent O2- atoms to form KO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–O bond lengths are 2.50 Å. In the second K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, a faceface with one KO6 octahedra, a faceface with one BiO6 octahedra, and faces with six UO6 octahedra. There are a spread of K–O bond distances ranging from 3.09–3.13 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent KO6 octahedra, corners with four equivalent UO6 octahedra, and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.89 Å) and four longer (2.24 Å) U–O bond lengths. In the second U6+ site, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent BiO6 octahedra, corners with four equivalent UO6 octahedra, and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.02 Å) and four longer (2.15 Å) U–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.36 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to five K1+ and one U6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent K1+ and two U6+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent K1+, one U6+, and one Bi3+ atom.},
doi = {10.17188/1270220},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}