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Title: Materials Data on RhC2ClO2 by Materials Project

Abstract

RhC2O2Cl is Theoretical Carbon Structure structured and crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of eight RhC2O2Cl clusters. there are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded in a distorted rectangular see-saw-like geometry to two C1+ and two Cl1- atoms. There is one shorter (1.84 Å) and one longer (1.85 Å) Rh–C bond length. There are one shorter (2.41 Å) and one longer (2.44 Å) Rh–Cl bond lengths. In the second Rh3+ site, Rh3+ is bonded in a distorted rectangular see-saw-like geometry to two C1+ and two Cl1- atoms. There is one shorter (1.84 Å) and one longer (1.85 Å) Rh–C bond length. There are one shorter (2.41 Å) and one longer (2.44 Å) Rh–Cl bond lengths. There are four inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C1+ site, C1+ is bonded in a distorted single-bond geometry tomore » one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C1+ site, C1+ is bonded in a distorted single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Rh3+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Rh3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-559788
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; RhC2ClO2; C-Cl-O-Rh
OSTI Identifier:
1271045
DOI:
https://doi.org/10.17188/1271045

Citation Formats

The Materials Project. Materials Data on RhC2ClO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1271045.
The Materials Project. Materials Data on RhC2ClO2 by Materials Project. United States. doi:https://doi.org/10.17188/1271045
The Materials Project. 2020. "Materials Data on RhC2ClO2 by Materials Project". United States. doi:https://doi.org/10.17188/1271045. https://www.osti.gov/servlets/purl/1271045. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1271045,
title = {Materials Data on RhC2ClO2 by Materials Project},
author = {The Materials Project},
abstractNote = {RhC2O2Cl is Theoretical Carbon Structure structured and crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of eight RhC2O2Cl clusters. there are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded in a distorted rectangular see-saw-like geometry to two C1+ and two Cl1- atoms. There is one shorter (1.84 Å) and one longer (1.85 Å) Rh–C bond length. There are one shorter (2.41 Å) and one longer (2.44 Å) Rh–Cl bond lengths. In the second Rh3+ site, Rh3+ is bonded in a distorted rectangular see-saw-like geometry to two C1+ and two Cl1- atoms. There is one shorter (1.84 Å) and one longer (1.85 Å) Rh–C bond length. There are one shorter (2.41 Å) and one longer (2.44 Å) Rh–Cl bond lengths. There are four inequivalent C1+ sites. In the first C1+ site, C1+ is bonded in a single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C1+ site, C1+ is bonded in a single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C1+ site, C1+ is bonded in a distorted single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C1+ site, C1+ is bonded in a distorted single-bond geometry to one Rh3+ and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C1+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Rh3+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two Rh3+ atoms.},
doi = {10.17188/1271045},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}