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Materials Data on Pb(ClO3)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1202606· OSTI ID:1202606

Pb(O3Cl)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. Pb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Pb–O bond distances ranging from 2.62–2.77 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Pb and one Cl atom. The O–Cl bond length is 1.48 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Pb and one Cl atom. The O–Cl bond length is 1.52 Å. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Pb and one Cl atom. The O–Cl bond length is 1.54 Å. Cl is bonded in a trigonal non-coplanar geometry to three O 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:
1202606
Report Number(s):
mp-28513
Country of Publication:
United States
Language:
English

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