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Title: Materials Data on Rb4C2O9 by Materials Project

Abstract

Rb4C2O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.13 Å. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.73–3.00 Å. In the third Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.45 Å. C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.28 Å) and one longer (1.34 Å) C–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four Rb and one O atom. The O–O bond length is 1.30 Å. In the second O site, O is bonded to five Rb and two equivalent O atoms to form distorted edge-sharing ORb5O2 pentagonal bipyramids. Both O–O bond lengths are 1.90 Å. In the third O site, O is bonded in amore » distorted single-bond geometry to four Rb and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three Rb and one C atom. In the fifth O site, O is bonded in a single-bond geometry to two equivalent Rb, one C, and one O atom.« less

Publication Date:
Other Number(s):
mp-1209669
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; Rb4C2O9; C-O-Rb
OSTI Identifier:
1745153
DOI:
https://doi.org/10.17188/1745153

Citation Formats

The Materials Project. Materials Data on Rb4C2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745153.
The Materials Project. Materials Data on Rb4C2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1745153
The Materials Project. 2020. "Materials Data on Rb4C2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1745153. https://www.osti.gov/servlets/purl/1745153. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1745153,
title = {Materials Data on Rb4C2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4C2O9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.13 Å. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.73–3.00 Å. In the third Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.45 Å. C is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.28 Å) and one longer (1.34 Å) C–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four Rb and one O atom. The O–O bond length is 1.30 Å. In the second O site, O is bonded to five Rb and two equivalent O atoms to form distorted edge-sharing ORb5O2 pentagonal bipyramids. Both O–O bond lengths are 1.90 Å. In the third O site, O is bonded in a distorted single-bond geometry to four Rb and one C atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three Rb and one C atom. In the fifth O site, O is bonded in a single-bond geometry to two equivalent Rb, one C, and one O atom.},
doi = {10.17188/1745153},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}