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Materials Data on PN2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1715786· OSTI ID:1715786
PN2 is quartz (alpha)-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. P5+ is bonded to four N+2.50- atoms to form corner-sharing PN4 tetrahedra. All P–N bond lengths are 1.61 Å. There are two inequivalent N+2.50- sites. In the first N+2.50- site, N+2.50- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the second N+2.50- site, N+2.50- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1715786
Report Number(s):
mp-1102941
Country of Publication:
United States
Language:
English

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