U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U2NiAs2(HO)24 by Materials Project
Abstract
(UAsO6)2Ni(H2O)6(H2O)6 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one nsvfpfuroxfzjs-uhfffaoysa-n molecule; six water molecules; and one UAsO6 sheet oriented in the (0, 0, 1) direction. In the UAsO6 sheet, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with four equivalent AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.31 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 41–46°. There is one shorter (1.71 Å) and three longer (1.72 Å) As–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U6+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one As5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ atom. In the fifth O2- site, O2- is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199639
- 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; U2NiAs2(HO)24; As-H-Ni-O-U
- OSTI Identifier:
- 1718412
- DOI:
- https://doi.org/10.17188/1718412
Citation Formats
The Materials Project. Materials Data on U2NiAs2(HO)24 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1718412.
The Materials Project. Materials Data on U2NiAs2(HO)24 by Materials Project. United States. doi:https://doi.org/10.17188/1718412
The Materials Project. 2019.
"Materials Data on U2NiAs2(HO)24 by Materials Project". United States. doi:https://doi.org/10.17188/1718412. https://www.osti.gov/servlets/purl/1718412. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1718412,
title = {Materials Data on U2NiAs2(HO)24 by Materials Project},
author = {The Materials Project},
abstractNote = {(UAsO6)2Ni(H2O)6(H2O)6 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one nsvfpfuroxfzjs-uhfffaoysa-n molecule; six water molecules; and one UAsO6 sheet oriented in the (0, 0, 1) direction. In the UAsO6 sheet, U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with four equivalent AsO4 tetrahedra. There are a spread of U–O bond distances ranging from 1.82–2.31 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 41–46°. There is one shorter (1.71 Å) and three longer (1.72 Å) As–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U6+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one As5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U6+ and one As5+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one U6+ and one As5+ atom.},
doi = {10.17188/1718412},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}