skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LiH2NO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1287527· OSTI ID:1287527

LiNH2O3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two LiNH2O3 sheets oriented in the (0, 1, 0) direction. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.01–2.33 Å. N3+ is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) N–O bond length. 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 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one N3+ atom. In the second O2- site, O2- is bonded in a water-like geometry to one Li1+ and one N3+ atom. In the third O2- site, O2- is bonded to two equivalent Li1+ and two H1+ atoms to form distorted corner-sharing OLi2H2 tetrahedra.

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:
1287527
Report Number(s):
mp-722902
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on SmP2H16C6NO13 by Materials Project
Dataset · Sat May 02 00:00:00 EDT 2020 · OSTI ID:1287527

Materials Data on LiSi3H27C9N2 by Materials Project
Dataset · Sat Jan 12 00:00:00 EST 2019 · OSTI ID:1287527

Materials Data on Ba2H14C12S4N4O15 by Materials Project
Dataset · Sat Jan 12 00:00:00 EST 2019 · OSTI ID:1287527