U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NpNO5 by Materials Project
Abstract
NpNO5 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one NpNO5 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Np5+ sites. In the first Np5+ site, Np5+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Np–O bond distances ranging from 1.78–2.67 Å. In the second Np5+ site, Np5+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Np–O bond distances ranging from 1.78–2.45 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.19 Å) and one longer (1.40 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.20 Å) and one longer (1.28 Å) N–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np5+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to onemore »
- Publication Date:
- Other Number(s):
- mp-1180449
- 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; crystal structure; N-Np-O; NpNO5
- OSTI Identifier:
- 1709765
- DOI:
- https://doi.org/10.17188/1709765
Citation Formats
Materials Data on NpNO5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1709765.
Materials Data on NpNO5 by Materials Project. United States. doi:https://doi.org/10.17188/1709765
2019.
"Materials Data on NpNO5 by Materials Project". United States. doi:https://doi.org/10.17188/1709765. https://www.osti.gov/servlets/purl/1709765. Pub date:Thu Jan 10 19:00:00 EST 2019
@article{osti_1709765,
title = {Materials Data on NpNO5 by Materials Project},
abstractNote = {NpNO5 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one NpNO5 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Np5+ sites. In the first Np5+ site, Np5+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Np–O bond distances ranging from 1.78–2.67 Å. In the second Np5+ site, Np5+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Np–O bond distances ranging from 1.78–2.45 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.19 Å) and one longer (1.40 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.20 Å) and one longer (1.28 Å) N–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np5+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Np5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Np5+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two Np5+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Np5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Np5+ and one N5+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Np5+ atoms. In the eighth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Np5+ atoms. In the tenth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom.},
doi = {10.17188/1709765},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}