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Title: Materials Data on Tl2Mo7O22 by Materials Project

Abstract

Mo7Tl2O22 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.49 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.52 Å. In the third Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.30 Å. In the fourth Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.41 Å. Tl1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tl–O bond distances ranging from 2.79–3.44 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and two equivalent Tl1+ atoms. In the third O2-more » site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and one Tl1+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Mo6+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and two equivalent Tl1+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and one Tl1+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ atoms. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mo6+ and one Tl1+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-704535
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Tl2Mo7O22; Mo-O-Tl
OSTI Identifier:
1285737
DOI:
https://doi.org/10.17188/1285737

Citation Formats

The Materials Project. Materials Data on Tl2Mo7O22 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1285737.
The Materials Project. Materials Data on Tl2Mo7O22 by Materials Project. United States. doi:https://doi.org/10.17188/1285737
The Materials Project. 2017. "Materials Data on Tl2Mo7O22 by Materials Project". United States. doi:https://doi.org/10.17188/1285737. https://www.osti.gov/servlets/purl/1285737. Pub date:Thu May 25 00:00:00 EDT 2017
@article{osti_1285737,
title = {Materials Data on Tl2Mo7O22 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo7Tl2O22 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.49 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.52 Å. In the third Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.30 Å. In the fourth Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.41 Å. Tl1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tl–O bond distances ranging from 2.79–3.44 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and two equivalent Tl1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and one Tl1+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Mo6+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and two equivalent Tl1+ atoms. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and one Tl1+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ atoms. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to three Mo6+ atoms. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to two Mo6+ and one Tl1+ atom.},
doi = {10.17188/1285737},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}