U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on UCu4(MoO8)2 by Materials Project
Abstract
UCu4(MoO8)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. U is bonded to six O atoms to form UO6 octahedra that share corners with four equivalent MoO4 tetrahedra. There are two shorter (1.82 Å) and four longer (2.23 Å) U–O bond lengths. Mo is bonded to four O atoms to form MoO4 tetrahedra that share corners with two equivalent UO6 octahedra and corners with three CuO6 octahedra. The corner-sharing octahedra tilt angles range from 21–51°. There are a spread of Mo–O bond distances ranging from 1.75–1.82 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to six O atoms to form distorted CuO6 octahedra that share a cornercorner with one MoO4 tetrahedra and edges with six CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.90–2.34 Å. In the second Cu site, Cu is bonded to six O atoms to form distorted CuO6 octahedra that share corners with two equivalent MoO4 tetrahedra and edges with six CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.82–2.45 Å. There are six inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanarmore »
- Publication Date:
- Other Number(s):
- mp-1191505
- 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; Cu-Mo-O-U; UCu4(MoO8)2; crystal structure
- OSTI Identifier:
- 1732999
- DOI:
- https://doi.org/10.17188/1732999
Citation Formats
Materials Data on UCu4(MoO8)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1732999.
Materials Data on UCu4(MoO8)2 by Materials Project. United States. doi:https://doi.org/10.17188/1732999
2019.
"Materials Data on UCu4(MoO8)2 by Materials Project". United States. doi:https://doi.org/10.17188/1732999. https://www.osti.gov/servlets/purl/1732999. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1732999,
title = {Materials Data on UCu4(MoO8)2 by Materials Project},
abstractNote = {UCu4(MoO8)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. U is bonded to six O atoms to form UO6 octahedra that share corners with four equivalent MoO4 tetrahedra. There are two shorter (1.82 Å) and four longer (2.23 Å) U–O bond lengths. Mo is bonded to four O atoms to form MoO4 tetrahedra that share corners with two equivalent UO6 octahedra and corners with three CuO6 octahedra. The corner-sharing octahedra tilt angles range from 21–51°. There are a spread of Mo–O bond distances ranging from 1.75–1.82 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to six O atoms to form distorted CuO6 octahedra that share a cornercorner with one MoO4 tetrahedra and edges with six CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.90–2.34 Å. In the second Cu site, Cu is bonded to six O atoms to form distorted CuO6 octahedra that share corners with two equivalent MoO4 tetrahedra and edges with six CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.82–2.45 Å. There are six inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three Cu atoms. In the second O site, O is bonded in a single-bond geometry to one Mo atom. In the third O site, O is bonded in a 2-coordinate geometry to three Cu atoms. In the fourth O site, O is bonded in a single-bond geometry to one U atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one U and one Mo atom. In the sixth O site, O is bonded in a 1-coordinate geometry to one Mo and three Cu atoms.},
doi = {10.17188/1732999},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}