U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on UH10C4S(NO3)3 by Materials Project
Abstract
UC4NSO8(NH4)2H2O crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four ammonium molecules, two water molecules, and one UC4NSO8 cluster. In the UC4NSO8 cluster, U3+ is bonded in a distorted pentagonal bipyramidal geometry to one N3- and six O2- atoms. The U–N bond length is 2.37 Å. There are a spread of U–O bond distances ranging from 1.81–2.49 Å. There are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.20 Å. The C–S bond length is 1.60 Å. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. In the third C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. In the fourth C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length.more »
- Publication Date:
- Other Number(s):
- mp-1204315
- 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; C-H-N-O-S-U; UH10C4S(NO3)3; crystal structure
- OSTI Identifier:
- 1652985
- DOI:
- https://doi.org/10.17188/1652985
Citation Formats
Materials Data on UH10C4S(NO3)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1652985.
Materials Data on UH10C4S(NO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1652985
2019.
"Materials Data on UH10C4S(NO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1652985. https://www.osti.gov/servlets/purl/1652985. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1652985,
title = {Materials Data on UH10C4S(NO3)3 by Materials Project},
abstractNote = {UC4NSO8(NH4)2H2O crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four ammonium molecules, two water molecules, and one UC4NSO8 cluster. In the UC4NSO8 cluster, U3+ is bonded in a distorted pentagonal bipyramidal geometry to one N3- and six O2- atoms. The U–N bond length is 2.37 Å. There are a spread of U–O bond distances ranging from 1.81–2.49 Å. There are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.20 Å. The C–S bond length is 1.60 Å. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. In the third C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. In the fourth C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. N3- is bonded in a distorted linear geometry to one U3+ and one C4+ atom. S2- is bonded in a single-bond geometry to one C4+ atom. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one U3+ and one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one U3+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one U3+ and one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one U3+ and one C4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one U3+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one U3+ atom.},
doi = {10.17188/1652985},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}