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Title: Materials Data on Rb4CO6 by Materials Project

Abstract

Rb4CO6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Rb sites. In the first Rb site, Rb is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Rb–O bond distances ranging from 2.71–3.28 Å. In the second Rb site, Rb is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Rb–O bond distances ranging from 2.75–3.11 Å. In the third 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 2.76–3.42 Å. In the fourth Rb site, Rb is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Rb–O bond distances ranging from 2.65–3.08 Å. C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.30 Å) and two longer (1.31 Å) C–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to three Rb and one C atom. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to four Rb atoms. Inmore » 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 trigonal bipyramidal geometry to four Rb and one O atom. The O–O bond length is 1.33 Å. In the fifth O site, O is bonded in a 2-coordinate geometry to two Rb and one O atom. In the sixth O site, O is bonded in a distorted single-bond geometry to three Rb and one C atom.« less

Publication Date:
Other Number(s):
mp-674325
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; Rb4CO6; C-O-Rb
OSTI Identifier:
1282455
DOI:
10.17188/1282455

Citation Formats

The Materials Project. Materials Data on Rb4CO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282455.
The Materials Project. Materials Data on Rb4CO6 by Materials Project. United States. doi:10.17188/1282455.
The Materials Project. 2020. "Materials Data on Rb4CO6 by Materials Project". United States. doi:10.17188/1282455. https://www.osti.gov/servlets/purl/1282455. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1282455,
title = {Materials Data on Rb4CO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4CO6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Rb sites. In the first Rb site, Rb is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Rb–O bond distances ranging from 2.71–3.28 Å. In the second Rb site, Rb is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Rb–O bond distances ranging from 2.75–3.11 Å. In the third 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 2.76–3.42 Å. In the fourth Rb site, Rb is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Rb–O bond distances ranging from 2.65–3.08 Å. C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.30 Å) and two longer (1.31 Å) C–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to three Rb and one C atom. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to four Rb atoms. 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 trigonal bipyramidal geometry to four Rb and one O atom. The O–O bond length is 1.33 Å. In the fifth O site, O is bonded in a 2-coordinate geometry to two Rb and one O atom. In the sixth O site, O is bonded in a distorted single-bond geometry to three Rb and one C atom.},
doi = {10.17188/1282455},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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