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Title: Materials Data on NaMo3NO10 by Materials Project

Abstract

(NaMo3O10)2N2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules and one NaMo3O10 framework. In the NaMo3O10 framework, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.72 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.33 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.34 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one Mo6+ atom. In the fifthmore » O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo6+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to three Mo6+ atoms.« less

Publication Date:
Other Number(s):
mp-1210425
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; NaMo3NO10; Mo-N-Na-O
OSTI Identifier:
1680517
DOI:
https://doi.org/10.17188/1680517

Citation Formats

The Materials Project. Materials Data on NaMo3NO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680517.
The Materials Project. Materials Data on NaMo3NO10 by Materials Project. United States. doi:https://doi.org/10.17188/1680517
The Materials Project. 2020. "Materials Data on NaMo3NO10 by Materials Project". United States. doi:https://doi.org/10.17188/1680517. https://www.osti.gov/servlets/purl/1680517. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1680517,
title = {Materials Data on NaMo3NO10 by Materials Project},
author = {The Materials Project},
abstractNote = {(NaMo3O10)2N2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules and one NaMo3O10 framework. In the NaMo3O10 framework, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.72 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.33 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.73–2.34 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one Mo6+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo6+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to three Mo6+ atoms.},
doi = {10.17188/1680517},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}