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

Title: Materials Data on HPb2IO2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1678510· OSTI ID:1678510

H(PbO)2I crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of four hydriodic acid molecules and two H(PbO)2 ribbons oriented in the (0, 1, 0) direction. In each H(PbO)2 ribbon, there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.70 Å. In the second Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.29 Å) and two longer (2.45 Å) Pb–O bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Pb2+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the second O2- site, O2- is bonded in a single-bond geometry to three Pb2+ 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:
1678510
Report Number(s):
mp-1102812
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on H2Pb4SO8 by Materials Project
Dataset · Mon Jul 20 00:00:00 EDT 2020 · OSTI ID:1678510

Materials Data on HPb3ClO3 by Materials Project
Dataset · Wed Jul 22 00:00:00 EDT 2020 · OSTI ID:1678510

Materials Data on CuH5Pb4SO11 by Materials Project
Dataset · Thu May 11 00:00:00 EDT 2017 · OSTI ID:1678510