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Title: Materials Data on MoO4 by Materials Project

Abstract

MoO4 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four MoO4 sheets oriented in the (1, 0, 0) direction. Mo is bonded to six O atoms to form distorted corner-sharing MoO6 pentagonal pyramids. There are a spread of Mo–O bond distances ranging from 1.91–1.97 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Mo atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Mo atoms. In the third O site, O is bonded in a 1-coordinate geometry to one Mo and one O atom. The O–O bond length is 1.45 Å.

Publication Date:
Other Number(s):
mp-1206498
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; MoO4; Mo-O
OSTI Identifier:
1654426
DOI:
https://doi.org/10.17188/1654426

Citation Formats

The Materials Project. Materials Data on MoO4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1654426.
The Materials Project. Materials Data on MoO4 by Materials Project. United States. doi:https://doi.org/10.17188/1654426
The Materials Project. 2019. "Materials Data on MoO4 by Materials Project". United States. doi:https://doi.org/10.17188/1654426. https://www.osti.gov/servlets/purl/1654426. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1654426,
title = {Materials Data on MoO4 by Materials Project},
author = {The Materials Project},
abstractNote = {MoO4 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of four MoO4 sheets oriented in the (1, 0, 0) direction. Mo is bonded to six O atoms to form distorted corner-sharing MoO6 pentagonal pyramids. There are a spread of Mo–O bond distances ranging from 1.91–1.97 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Mo atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Mo atoms. In the third O site, O is bonded in a 1-coordinate geometry to one Mo and one O atom. The O–O bond length is 1.45 Å.},
doi = {10.17188/1654426},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}