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Title: Materials Data on HNO by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1278368· OSTI ID:1278368

NHO crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of two NHO ribbons oriented in the (1, 0, 1) direction. there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a 2-coordinate geometry to one N1+ and two O2- atoms. The N–N bond length is 1.19 Å. There is one shorter (1.40 Å) and one longer (1.42 Å) N–O bond length. In the second N1+ site, N1+ is bonded in a distorted bent 120 degrees geometry to one N1+ and one H1+ atom. The N–H bond length is 1.79 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N1+ and one O2- atom. The H–O bond length is 1.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one N1+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one N1+ and one H1+ atom.

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:
1278368
Report Number(s):
mp-625385
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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