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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pb2O3 by Materials Project

Pb2O3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one Pb2O3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 11–14°. There are a spread of Pb–O bond distances ranging from 2.03–2.46 Å. In the second Pb3+ site, Pb3+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.48–2.55 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Pb3+ atoms. In the second O2- site, O2- is bonded to five Pb3+ atoms to form a mixture of corner and edge-sharing OPb5 square pyramids. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Pb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pb2O3 by Materials Project

Pb2O3 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Pb–O bond distances ranging from 2.15–2.26 Å. In the second Pb3+ site, Pb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.31–3.08 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to four Pb3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Pb3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to four Pb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pb2O3 by Materials Project

Pb2O3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 31–32°. There are a spread of Pb–O bond distances ranging from 2.17–2.28 Å. In the second Pb3+ site, Pb3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.48–2.80 Å. In the third Pb3+ site, Pb3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–36°. There are a spread of Pb–O bond distances ranging from 2.19–2.26 Å. In the fourth Pb3+ site, Pb3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.51–2.83 Å. In the fifth Pb3+ site, Pb3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.51–2.89 Å. In the sixth Pb3+ site, Pb3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 31–32°. There are a spread of Pb–O bond distances ranging from 2.17–2.28 Å. In the seventh Pb3+ site, Pb3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–36°. There are a spread of Pb–O bond distances ranging from 2.19–2.26 Å. In the eighth Pb3+ site, Pb3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.52–2.88 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Pb3+ atoms. In the second O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the third O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Pb3+ atoms. In the fifth O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the sixth O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the seventh O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the eighth O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the ninth O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the tenth O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to four Pb3+ atoms. In the twelfth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Pb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pb2O3 by Materials Project

Pb2O3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 30–33°. There are a spread of Pb–O bond distances ranging from 2.18–2.30 Å. In the second Pb3+ site, Pb3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 30–33°. There are a spread of Pb–O bond distances ranging from 2.19–2.31 Å. In the third Pb3+ site, Pb3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 33–36°. There are a spread of Pb–O bond distances ranging from 2.20–2.30 Å. In the fourth Pb3+ site, Pb3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 33–36°. There are a spread of Pb–O bond distances ranging from 2.20–2.30 Å. In the fifth Pb3+ site, Pb3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.52–2.88 Å. In the sixth Pb3+ site, Pb3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.48–2.77 Å. In the seventh Pb3+ site, Pb3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.53–2.95 Å. In the eighth Pb3+ site, Pb3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.50–2.84 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Pb3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Pb3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Pb3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Pb3+ atoms. In the fifth O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra. In the sixth O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the seventh O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the eighth O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the ninth O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the tenth O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the eleventh O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of distorted corner and edge-sharing OPb4 tetrahedra. In the twelfth O2- site, O2- is bonded to four Pb3+ atoms to form a mixture of corner and edge-sharing OPb4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pb2O3 by Materials Project

Pb2O3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded to seven O2- atoms to form distorted edge-sharing PbO7 pentagonal bipyramids. There are a spread of Pb–O bond distances ranging from 2.29–2.36 Å. In the second Pb3+ site, Pb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.38–3.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to five Pb3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to five Pb3+ atoms. In the third O2- site, O2- is bonded to four Pb3+ atoms to form distorted corner-sharing OPb4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2024

In situ characterization of metastable Pb3O5 and Pb2O3 phases during thermal decomposition of PbO2 to PbO

Nonstoichiometric lead oxides play a key role in the formation and cycling of the positive electrodes in a lead acid battery. These phases have been linked to the underutilization of the positive active material but also play a key role in the battery’s cycle life, providing inter-particle adhesion and the connection to the underlying lead grid. Similar phases have previously been identified by mass loss or color change during thermal annealing of PbO2 to PbO, suggesting that at least two intermediate PbOx phases exist. Using multiple in situ analysis techniques (powder diffraction, x-ray absorption, x-ray photoelectron spectroscopy) and ex situ nuclear magnetic resonance measurements, the structural conversion and changes in the lead oxidation states were identified during this process. Isolation of the PbOx phases enabled confirmation of Pb3O5 and Pb2O3 by diffraction and the first 207Pb NMR measurement of these intermediates.

Kinnibrugh, Tiffany L.↗