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Title: Materials Data on Mo3NO9 by Materials Project

Abstract

(MoO3)6N2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of two ammonia molecules and one MoO3 framework. In the MoO3 framework, Mo5+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Mo5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mo5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Mo5+ atom.

Publication Date:
Other Number(s):
mp-1193311
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; Mo3NO9; Mo-N-O
OSTI Identifier:
1683180
DOI:
https://doi.org/10.17188/1683180

Citation Formats

The Materials Project. Materials Data on Mo3NO9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1683180.
The Materials Project. Materials Data on Mo3NO9 by Materials Project. United States. doi:https://doi.org/10.17188/1683180
The Materials Project. 2019. "Materials Data on Mo3NO9 by Materials Project". United States. doi:https://doi.org/10.17188/1683180. https://www.osti.gov/servlets/purl/1683180. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1683180,
title = {Materials Data on Mo3NO9 by Materials Project},
author = {The Materials Project},
abstractNote = {(MoO3)6N2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional and consists of two ammonia molecules and one MoO3 framework. In the MoO3 framework, Mo5+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Mo5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mo5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Mo5+ atom.},
doi = {10.17188/1683180},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}