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Title: Materials Data on Mg2PN3 by Materials Project

Abstract

Mg2PN3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Mg–N bond distances ranging from 2.09–2.65 Å. P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.63–1.71 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent P5+ atoms to form distorted corner-sharing NMg2P2 tetrahedra. In the second N3- site, N3- is bonded in a 5-coordinate geometry to four equivalent Mg2+ and one P5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-3933
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg2PN3; Mg-N-P
OSTI Identifier:
1207645
DOI:
https://doi.org/10.17188/1207645

Citation Formats

The Materials Project. Materials Data on Mg2PN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207645.
The Materials Project. Materials Data on Mg2PN3 by Materials Project. United States. doi:https://doi.org/10.17188/1207645
The Materials Project. 2020. "Materials Data on Mg2PN3 by Materials Project". United States. doi:https://doi.org/10.17188/1207645. https://www.osti.gov/servlets/purl/1207645. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1207645,
title = {Materials Data on Mg2PN3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2PN3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Mg–N bond distances ranging from 2.09–2.65 Å. P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.63–1.71 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent P5+ atoms to form distorted corner-sharing NMg2P2 tetrahedra. In the second N3- site, N3- is bonded in a 5-coordinate geometry to four equivalent Mg2+ and one P5+ atom.},
doi = {10.17188/1207645},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}