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Materials Data on PNO by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1207126· OSTI ID:1207126
PON1 is Anatase-derived structured and crystallizes in the monoclinic Cc space group. The structure is three-dimensional. P5+ is bonded to two equivalent N3- and two equivalent O2- atoms to form corner-sharing PN2O2 tetrahedra. Both P–N bond lengths are 1.57 Å. Both P–O bond lengths are 1.62 Å. N3- is bonded in a distorted bent 150 degrees geometry to two equivalent P5+ atoms. O2- is bonded in a distorted 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:
1207126
Report Number(s):
mp-36066
Country of Publication:
United States
Language:
English

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