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Title: Materials Data on Ta2Mo2O5 by Materials Project

Abstract

TaTaMo2O5 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one tantalum molecule and one TaMo2O5 sheet oriented in the (0, 0, 1) direction. In the TaMo2O5 sheet, Ta3+ is bonded to twelve O2- atoms to form a mixture of corner and face-sharing TaO12 cuboctahedra. There are eight shorter (2.31 Å) and four longer (2.44 Å) Ta–O bond lengths. Mo2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Mo–O bond lengths are 2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ta3+ and two equivalent Mo2+ atoms to form a mixture of distorted edge and corner-sharing OTa2Mo2 tetrahedra. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to four equivalent Ta3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1186788
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; Ta2Mo2O5; Mo-O-Ta
OSTI Identifier:
1708097
DOI:
https://doi.org/10.17188/1708097

Citation Formats

The Materials Project. Materials Data on Ta2Mo2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708097.
The Materials Project. Materials Data on Ta2Mo2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1708097
The Materials Project. 2020. "Materials Data on Ta2Mo2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1708097. https://www.osti.gov/servlets/purl/1708097. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1708097,
title = {Materials Data on Ta2Mo2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {TaTaMo2O5 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one tantalum molecule and one TaMo2O5 sheet oriented in the (0, 0, 1) direction. In the TaMo2O5 sheet, Ta3+ is bonded to twelve O2- atoms to form a mixture of corner and face-sharing TaO12 cuboctahedra. There are eight shorter (2.31 Å) and four longer (2.44 Å) Ta–O bond lengths. Mo2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Mo–O bond lengths are 2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ta3+ and two equivalent Mo2+ atoms to form a mixture of distorted edge and corner-sharing OTa2Mo2 tetrahedra. In the second O2- site, O2- is bonded in a distorted square co-planar geometry to four equivalent Ta3+ atoms.},
doi = {10.17188/1708097},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}