U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RhWN5ClO4 by Materials Project
Abstract
WRhN5O4Cl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four WRhN5O4Cl ribbons oriented in the (1, 0, 0) direction. W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.76–2.18 Å. Rh4+ is bonded in a 5-coordinate geometry to five N+0.20- atoms. There are a spread of Rh–N bond distances ranging from 1.69–2.09 Å. There are three inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a bent 150 degrees geometry to one Rh4+ and one Cl1- atom. The N–Cl bond length is 1.53 Å. In the second N+0.20- site, N+0.20- is bonded in a distorted single-bond geometry to one Rh4+ atom. In the third N+0.20- site, N+0.20- is bonded in a distorted L-shaped geometry to one Rh4+ and one O2- atom. The N–O bond length is 1.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+ and two equivalent N+0.20- atoms. In the third O2- site, O2-more »
- Publication Date:
- Other Number(s):
- mp-1200798
- 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; Cl-N-O-Rh-W; RhWN5ClO4; crystal structure
- OSTI Identifier:
- 1685818
- DOI:
- https://doi.org/10.17188/1685818
Citation Formats
Materials Data on RhWN5ClO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685818.
Materials Data on RhWN5ClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1685818
2020.
"Materials Data on RhWN5ClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1685818. https://www.osti.gov/servlets/purl/1685818. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1685818,
title = {Materials Data on RhWN5ClO4 by Materials Project},
abstractNote = {WRhN5O4Cl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four WRhN5O4Cl ribbons oriented in the (1, 0, 0) direction. W6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.76–2.18 Å. Rh4+ is bonded in a 5-coordinate geometry to five N+0.20- atoms. There are a spread of Rh–N bond distances ranging from 1.69–2.09 Å. There are three inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a bent 150 degrees geometry to one Rh4+ and one Cl1- atom. The N–Cl bond length is 1.53 Å. In the second N+0.20- site, N+0.20- is bonded in a distorted single-bond geometry to one Rh4+ atom. In the third N+0.20- site, N+0.20- is bonded in a distorted L-shaped geometry to one Rh4+ and one O2- atom. The N–O bond length is 1.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one W6+ and two equivalent N+0.20- atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent N+0.20- atoms.},
doi = {10.17188/1685818},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}