U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3H8RhC4(ClO6)2 by Materials Project
Abstract
K3RhC4H8(O6Cl)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.82 Å) and four longer (3.09 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of K–O bond distances ranging from 2.77–3.04 Å. Both K–Cl bond lengths are 3.39 Å. Rh3+ is bonded in an octahedral geometry to four equivalent O2- and two equivalent Cl1- atoms. All Rh–O bond lengths are 2.07 Å. Both Rh–Cl bond lengths are 2.37 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.31 Å) C–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-753955
- 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; K3H8RhC4(ClO6)2; C-Cl-H-K-O-Rh
- OSTI Identifier:
- 1289195
- DOI:
- https://doi.org/10.17188/1289195
Citation Formats
The Materials Project. Materials Data on K3H8RhC4(ClO6)2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1289195.
The Materials Project. Materials Data on K3H8RhC4(ClO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1289195
The Materials Project. 2017.
"Materials Data on K3H8RhC4(ClO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1289195. https://www.osti.gov/servlets/purl/1289195. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1289195,
title = {Materials Data on K3H8RhC4(ClO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K3RhC4H8(O6Cl)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.82 Å) and four longer (3.09 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of K–O bond distances ranging from 2.77–3.04 Å. Both K–Cl bond lengths are 3.39 Å. Rh3+ is bonded in an octahedral geometry to four equivalent O2- and two equivalent Cl1- atoms. All Rh–O bond lengths are 2.07 Å. Both Rh–Cl bond lengths are 2.37 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.31 Å) C–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two K1+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one C3+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Rh3+, and one C3+ atom. Cl1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Rh3+ atom.},
doi = {10.17188/1289195},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}