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Title: Materials Data on Mo2N2O7 by Materials Project

Abstract

(Mo2NO7)2N2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonia molecules and one Mo2NO7 cluster. In the Mo2NO7 cluster, there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.28 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.01 Å. N1+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.26 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Mo6+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mo6+ and one N1+ atom. Inmore » the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Mo6+ and one O2- atom. The O–O bond length is 1.54 Å. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom.« less

Publication Date:
Other Number(s):
mp-1191629
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; Mo2N2O7; Mo-N-O
OSTI Identifier:
1684613
DOI:
https://doi.org/10.17188/1684613

Citation Formats

The Materials Project. Materials Data on Mo2N2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684613.
The Materials Project. Materials Data on Mo2N2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1684613
The Materials Project. 2020. "Materials Data on Mo2N2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1684613. https://www.osti.gov/servlets/purl/1684613. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1684613,
title = {Materials Data on Mo2N2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {(Mo2NO7)2N2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ammonia molecules and one Mo2NO7 cluster. In the Mo2NO7 cluster, there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.71–2.28 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.01 Å. N1+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.26 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Mo6+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mo6+ and one N1+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Mo6+ and one O2- atom. The O–O bond length is 1.54 Å. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom.},
doi = {10.17188/1684613},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}