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Title: Materials Data on RbCO2 by Materials Project

Abstract

RbCO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.29 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.53 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 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 five Rb1+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one C3+ atom. In the third O2- site, O2- is bonded in amore » distorted single-bond geometry to four Rb1+ and one C3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one C3+ atom.« less

Publication Date:
Other Number(s):
mp-555512
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; RbCO2; C-O-Rb
OSTI Identifier:
1268847
DOI:
10.17188/1268847

Citation Formats

The Materials Project. Materials Data on RbCO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268847.
The Materials Project. Materials Data on RbCO2 by Materials Project. United States. doi:10.17188/1268847.
The Materials Project. 2020. "Materials Data on RbCO2 by Materials Project". United States. doi:10.17188/1268847. https://www.osti.gov/servlets/purl/1268847. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1268847,
title = {Materials Data on RbCO2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbCO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.85–3.29 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.53 Å. There are two inequivalent C3+ sites. In the first C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. In the second C3+ site, C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 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 five Rb1+ and one C3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one C3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one C3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to four Rb1+ and one C3+ atom.},
doi = {10.17188/1268847},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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