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Title: Materials Data on INO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1289507· OSTI ID:1289507

IONO2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two IONO2 ribbons oriented in the (0, 0, 1) direction. N1+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.22–1.32 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N1+ and one I5+ atom. The O–I bond length is 2.26 Å. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N1+ and one I5+ atom. The O–I bond length is 2.22 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. I5+ is bonded in a linear geometry to two O2- atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1289507
Report Number(s):
mp-754661
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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