U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2NpO4 by Materials Project
Abstract
K2NpO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.07 Å. Np6+ is bonded to six O2- atoms to form corner-sharing NpO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.93 Å) and four longer (2.17 Å) Np–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Np6+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five equivalent K1+ and one Np6+ atom.
- Publication Date:
- Other Number(s):
- mp-1025162
- 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-Np-O; K2NpO4; crystal structure
- OSTI Identifier:
- 1355220
- DOI:
- https://doi.org/10.17188/1355220
Citation Formats
Materials Data on K2NpO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355220.
Materials Data on K2NpO4 by Materials Project. United States. doi:https://doi.org/10.17188/1355220
2020.
"Materials Data on K2NpO4 by Materials Project". United States. doi:https://doi.org/10.17188/1355220. https://www.osti.gov/servlets/purl/1355220. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1355220,
title = {Materials Data on K2NpO4 by Materials Project},
abstractNote = {K2NpO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.07 Å. Np6+ is bonded to six O2- atoms to form corner-sharing NpO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.93 Å) and four longer (2.17 Å) Np–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Np6+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five equivalent K1+ and one Np6+ atom.},
doi = {10.17188/1355220},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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