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Title: Materials Data on NaP4N7 by Materials Project

Abstract

NaP4N7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.46–2.73 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.58–1.73 Å. In the second P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.60–1.75 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three P5+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to one Na1+ and two P5+ atoms. In the third N3- site, N3- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent P5+ atoms. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Na1+ and two equivalent P5+ atoms.

Publication Date:
Other Number(s):
mp-29598
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; NaP4N7; N-Na-P
OSTI Identifier:
1204047
DOI:
https://doi.org/10.17188/1204047

Citation Formats

The Materials Project. Materials Data on NaP4N7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204047.
The Materials Project. Materials Data on NaP4N7 by Materials Project. United States. doi:https://doi.org/10.17188/1204047
The Materials Project. 2020. "Materials Data on NaP4N7 by Materials Project". United States. doi:https://doi.org/10.17188/1204047. https://www.osti.gov/servlets/purl/1204047. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1204047,
title = {Materials Data on NaP4N7 by Materials Project},
author = {The Materials Project},
abstractNote = {NaP4N7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.46–2.73 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.58–1.73 Å. In the second P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.60–1.75 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three P5+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to one Na1+ and two P5+ atoms. In the third N3- site, N3- is bonded in a 3-coordinate geometry to one Na1+ and two equivalent P5+ atoms. In the fourth N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Na1+ and two equivalent P5+ atoms.},
doi = {10.17188/1204047},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}