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Title: Materials Data on RbCd6C12ClO26 by Materials Project

Abstract

RbCd6C12O24ClO2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of six water molecules and one RbCd6C12O24Cl framework. In the RbCd6C12O24Cl framework, Rb1+ is bonded in a cuboctahedral geometry to twelve O2- atoms. There are six shorter (3.04 Å) and six longer (3.14 Å) Rb–O bond lengths. Cd2+ is bonded in a 7-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Cd–O bond distances ranging from 2.35–2.42 Å. The Cd–Cl bond length is 2.95 Å. There are two inequivalent C+3.33+ sites. In the first C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. In the second C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Cd2+, and one C+3.33+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Cd2+,more » and one C+3.33+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cd2+ and one C+3.33+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cd2+ and one C+3.33+ atom. Cl1- is bonded in a distorted octahedral geometry to six equivalent Cd2+ atoms.« less

Publication Date:
Other Number(s):
mp-1179807
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; RbCd6C12ClO26; C-Cd-Cl-O-Rb
OSTI Identifier:
1656185
DOI:
https://doi.org/10.17188/1656185

Citation Formats

The Materials Project. Materials Data on RbCd6C12ClO26 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656185.
The Materials Project. Materials Data on RbCd6C12ClO26 by Materials Project. United States. doi:https://doi.org/10.17188/1656185
The Materials Project. 2020. "Materials Data on RbCd6C12ClO26 by Materials Project". United States. doi:https://doi.org/10.17188/1656185. https://www.osti.gov/servlets/purl/1656185. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1656185,
title = {Materials Data on RbCd6C12ClO26 by Materials Project},
author = {The Materials Project},
abstractNote = {RbCd6C12O24ClO2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of six water molecules and one RbCd6C12O24Cl framework. In the RbCd6C12O24Cl framework, Rb1+ is bonded in a cuboctahedral geometry to twelve O2- atoms. There are six shorter (3.04 Å) and six longer (3.14 Å) Rb–O bond lengths. Cd2+ is bonded in a 7-coordinate geometry to six O2- and one Cl1- atom. There are a spread of Cd–O bond distances ranging from 2.35–2.42 Å. The Cd–Cl bond length is 2.95 Å. There are two inequivalent C+3.33+ sites. In the first C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. In the second C+3.33+ site, C+3.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Cd2+, and one C+3.33+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Cd2+, and one C+3.33+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cd2+ and one C+3.33+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cd2+ and one C+3.33+ atom. Cl1- is bonded in a distorted octahedral geometry to six equivalent Cd2+ atoms.},
doi = {10.17188/1656185},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}