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Title: Materials Data on Mo3O10 by Materials Project

Abstract

Mo3O10 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of one O2 ribbon oriented in the (0, 0, 1) direction and one MoO3 framework. In the O2 ribbon, O is bonded in a linear geometry to two equivalent O atoms. Both O–O bond lengths are 1.84 Å. In the MoO3 framework, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.50 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Mo atoms. In the second O site, O is bonded in a single-bond geometry to one Mo atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo atoms.

Publication Date:
Other Number(s):
mp-1180348
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; Mo3O10; Mo-O
OSTI Identifier:
1677284
DOI:
https://doi.org/10.17188/1677284

Citation Formats

The Materials Project. Materials Data on Mo3O10 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1677284.
The Materials Project. Materials Data on Mo3O10 by Materials Project. United States. doi:https://doi.org/10.17188/1677284
The Materials Project. 2019. "Materials Data on Mo3O10 by Materials Project". United States. doi:https://doi.org/10.17188/1677284. https://www.osti.gov/servlets/purl/1677284. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1677284,
title = {Materials Data on Mo3O10 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo3O10 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of one O2 ribbon oriented in the (0, 0, 1) direction and one MoO3 framework. In the O2 ribbon, O is bonded in a linear geometry to two equivalent O atoms. Both O–O bond lengths are 1.84 Å. In the MoO3 framework, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.50 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Mo atoms. In the second O site, O is bonded in a single-bond geometry to one Mo atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo atoms.},
doi = {10.17188/1677284},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}