skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cs2Mo2O11 by Materials Project

Abstract

Cs2Mo2O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 6-coordinate geometry to nine O atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.58 Å. In the second Cs site, Cs is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Cs–O bond distances ranging from 3.13–3.53 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.47 Å. In the second Mo site, Mo is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.63 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two Cs and one Mo atom. In the second O site, O is bonded in a 1-coordinate geometry to two Cs, one Mo, and one O atom. The O–O bond length is 1.47 Å. In the third O site, O is bonded in a 1-coordinatemore » geometry to three Cs and one Mo atom. In the fourth O site, O is bonded in a 4-coordinate geometry to two equivalent Cs, one Mo, and one O atom. The O–O bond length is 1.47 Å. In the fifth O site, O is bonded in a 1-coordinate geometry to two Cs, one Mo, and one O atom. In the sixth O site, O is bonded in a single-bond geometry to two Cs and one Mo atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Cs and two Mo atoms. In the eighth O site, O is bonded in a 4-coordinate geometry to one Cs, two equivalent Mo, and one O atom. The O–O bond length is 1.47 Å. In the ninth O site, O is bonded in a 1-coordinate geometry to one Cs, two Mo, and one O atom. In the tenth O site, O is bonded in a 1-coordinate geometry to two equivalent Cs and one Mo atom. In the eleventh O site, O is bonded in a 4-coordinate geometry to two Cs, one Mo, and one O atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-645299
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; Cs2Mo2O11; Cs-Mo-O
OSTI Identifier:
1280524
DOI:
10.17188/1280524

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cs2Mo2O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280524.
Persson, Kristin, & Project, Materials. Materials Data on Cs2Mo2O11 by Materials Project. United States. doi:10.17188/1280524.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cs2Mo2O11 by Materials Project". United States. doi:10.17188/1280524. https://www.osti.gov/servlets/purl/1280524. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1280524,
title = {Materials Data on Cs2Mo2O11 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cs2Mo2O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 6-coordinate geometry to nine O atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.58 Å. In the second Cs site, Cs is bonded in a 11-coordinate geometry to eleven O atoms. There are a spread of Cs–O bond distances ranging from 3.13–3.53 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.47 Å. In the second Mo site, Mo is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.63 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two Cs and one Mo atom. In the second O site, O is bonded in a 1-coordinate geometry to two Cs, one Mo, and one O atom. The O–O bond length is 1.47 Å. In the third O site, O is bonded in a 1-coordinate geometry to three Cs and one Mo atom. In the fourth O site, O is bonded in a 4-coordinate geometry to two equivalent Cs, one Mo, and one O atom. The O–O bond length is 1.47 Å. In the fifth O site, O is bonded in a 1-coordinate geometry to two Cs, one Mo, and one O atom. In the sixth O site, O is bonded in a single-bond geometry to two Cs and one Mo atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Cs and two Mo atoms. In the eighth O site, O is bonded in a 4-coordinate geometry to one Cs, two equivalent Mo, and one O atom. The O–O bond length is 1.47 Å. In the ninth O site, O is bonded in a 1-coordinate geometry to one Cs, two Mo, and one O atom. In the tenth O site, O is bonded in a 1-coordinate geometry to two equivalent Cs and one Mo atom. In the eleventh O site, O is bonded in a 4-coordinate geometry to two Cs, one Mo, and one O atom.},
doi = {10.17188/1280524},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: