Materials Data on PtRhBr6N5Cl by Materials Project
Abstract
(Pt)2RhN5Br5ClRhN5Br3Cl(Br)4 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules, four platinum molecules, two RhN5Br3Cl clusters, and two RhN5Br5Cl clusters. In each RhN5Br3Cl cluster, Rh4+ is bonded in a distorted octahedral geometry to five N3- and one Cl1- atom. There are a spread of Rh–N bond distances ranging from 1.88–2.08 Å. The Rh–Cl bond length is 2.45 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted L-shaped geometry to one Rh4+ and one Br1+ atom. The N–Br bond length is 1.81 Å. In the second N3- site, N3- is bonded in a distorted L-shaped geometry to one Rh4+ and one Br1+ atom. The N–Br bond length is 1.89 Å. In the third N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rh4+ and one Br1+ atom. The N–Br bond length is 1.82 Å. There are three inequivalent Br1+ sites. In the first Br1+ site, Br1+ is bonded in an L-shaped geometry to two equivalent N3- atoms. In the second Br1+ site, Br1+ is bonded in a single-bond geometry to one N3- atom. In the third Br1+ site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1200294
- 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; PtRhBr6N5Cl; Br-Cl-N-Pt-Rh
- OSTI Identifier:
- 1679827
- DOI:
- https://doi.org/10.17188/1679827
Citation Formats
The Materials Project. Materials Data on PtRhBr6N5Cl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1679827.
The Materials Project. Materials Data on PtRhBr6N5Cl by Materials Project. United States. doi:https://doi.org/10.17188/1679827
The Materials Project. 2020.
"Materials Data on PtRhBr6N5Cl by Materials Project". United States. doi:https://doi.org/10.17188/1679827. https://www.osti.gov/servlets/purl/1679827. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1679827,
title = {Materials Data on PtRhBr6N5Cl by Materials Project},
author = {The Materials Project},
abstractNote = {(Pt)2RhN5Br5ClRhN5Br3Cl(Br)4 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules, four platinum molecules, two RhN5Br3Cl clusters, and two RhN5Br5Cl clusters. In each RhN5Br3Cl cluster, Rh4+ is bonded in a distorted octahedral geometry to five N3- and one Cl1- atom. There are a spread of Rh–N bond distances ranging from 1.88–2.08 Å. The Rh–Cl bond length is 2.45 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted L-shaped geometry to one Rh4+ and one Br1+ atom. The N–Br bond length is 1.81 Å. In the second N3- site, N3- is bonded in a distorted L-shaped geometry to one Rh4+ and one Br1+ atom. The N–Br bond length is 1.89 Å. In the third N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Rh4+ and one Br1+ atom. The N–Br bond length is 1.82 Å. There are three inequivalent Br1+ sites. In the first Br1+ site, Br1+ is bonded in an L-shaped geometry to two equivalent N3- atoms. In the second Br1+ site, Br1+ is bonded in a single-bond geometry to one N3- atom. In the third Br1+ site, Br1+ is bonded in an L-shaped geometry to two equivalent N3- atoms. Cl1- is bonded in a distorted single-bond geometry to one Rh4+ atom. In each RhN5Br5Cl cluster, Rh4+ is bonded in a distorted octahedral geometry to five N3- and one Cl1- atom. There are a spread of Rh–N bond distances ranging from 1.84–2.26 Å. The Rh–Cl bond length is 2.45 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Rh4+ and two equivalent Br1+ atoms. Both N–Br bond lengths are 1.97 Å. In the second N3- site, N3- is bonded in a distorted trigonal non-coplanar geometry to one Rh4+ and two equivalent Br1+ atoms. Both N–Br bond lengths are 1.95 Å. In the third N3- site, N3- is bonded in a distorted single-bond geometry to one Rh4+ and one Br1+ atom. The N–Br bond length is 2.33 Å. In the fourth N3- site, N3- is bonded in a distorted single-bond geometry to one Rh4+ and one Br1+ atom. The N–Br bond length is 1.96 Å. There are three inequivalent Br1+ sites. In the first Br1+ site, Br1+ is bonded in a single-bond geometry to one N3- atom. In the second Br1+ site, Br1+ is bonded in a single-bond geometry to one N3- atom. In the third Br1+ site, Br1+ is bonded in a 1-coordinate geometry to two N3- atoms. Cl1- is bonded in a single-bond geometry to one Rh4+ atom.},
doi = {10.17188/1679827},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}