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Title: Materials Data on Mo2O7 by Materials Project

Abstract

Mo2O7 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Mo2O7 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.52 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.42 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mo atom. 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. In the fourth O site, O is bonded in a single-bond geometry to one Mo atom. In the fifth O site, O is bonded in a 3-coordinate geometry to three equivalent Mo atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to two Mo atoms. In the seventh O site, Omore » is bonded in a single-bond geometry to one Mo atom.« less

Publication Date:
Other Number(s):
mp-1180296
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; Mo2O7; Mo-O
OSTI Identifier:
1655961
DOI:
https://doi.org/10.17188/1655961

Citation Formats

The Materials Project. Materials Data on Mo2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655961.
The Materials Project. Materials Data on Mo2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1655961
The Materials Project. 2020. "Materials Data on Mo2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1655961. https://www.osti.gov/servlets/purl/1655961. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1655961,
title = {Materials Data on Mo2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo2O7 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Mo2O7 sheet oriented in the (1, 0, 0) direction. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.52 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.42 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mo atom. 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. In the fourth O site, O is bonded in a single-bond geometry to one Mo atom. In the fifth O site, O is bonded in a 3-coordinate geometry to three equivalent Mo atoms. In the sixth O site, O is bonded in a distorted single-bond geometry to two Mo atoms. In the seventh O site, O is bonded in a single-bond geometry to one Mo atom.},
doi = {10.17188/1655961},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}