U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbU2As3O14 by Materials Project
Abstract
RbU2As3O14 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.42 Å. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with four AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.31 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with three equivalent UO6 octahedra and a cornercorner with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–43°. There are a spread of As–O bond distances ranging from 1.69–1.81 Å. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent UO6 octahedra and corners with two equivalent AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There is two shorter (1.69 Å) and two longer (1.77 Å) As–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one As5+more »
- Publication Date:
- Other Number(s):
- mp-1204158
- 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; As-O-Rb-U; RbU2As3O14; crystal structure
- OSTI Identifier:
- 1695855
- DOI:
- https://doi.org/10.17188/1695855
Citation Formats
Materials Data on RbU2As3O14 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1695855.
Materials Data on RbU2As3O14 by Materials Project. United States. doi:https://doi.org/10.17188/1695855
2019.
"Materials Data on RbU2As3O14 by Materials Project". United States. doi:https://doi.org/10.17188/1695855. https://www.osti.gov/servlets/purl/1695855. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1695855,
title = {Materials Data on RbU2As3O14 by Materials Project},
abstractNote = {RbU2As3O14 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.42 Å. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with four AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.31 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with three equivalent UO6 octahedra and a cornercorner with one AsO4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–43°. There are a spread of As–O bond distances ranging from 1.69–1.81 Å. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent UO6 octahedra and corners with two equivalent AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There is two shorter (1.69 Å) and two longer (1.77 Å) As–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one As5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two As5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one U6+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one U6+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+ and one U6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Rb1+ and one U6+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one U6+, and one As5+ atom.},
doi = {10.17188/1695855},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}