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12 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Probing lead acetate in solution using X-ray diffraction

Here, for the purpose of water purification involving toxic metal sensing and removal, high energy X-ray diffraction experiments have been performed on lead acetate Pb(Ac) 2 solutions, liquid and amorphous glutathione disulfide (GSSG), and their mixtures. The data have been interpreted using Empirical Potential Structure Refinement and pair distribution function analysis. At the highest concentration of 1 M Pb(Ac) 2 in water, the lead molecules are found to cluster and the second shell in the water structure becomes slightly more ordered as the water molecules become compressed. Liquid and amorphous GSSG are found to hydrogen bond primarily via OH-O interactions, while NH-O bonds are much more distorted. Aqueous solutions of Pb(Ac) 2 + GSSG show the closest Pb-O (carboxyl) and Pb-N (amine) bonds both at a distance of 2.5 ± 0.1 Å at a concentration of 1 M Pb(Ac) 2 in water. At 0.75 M Pb(Ac) 2 in water, strong Pb-S bonds are found at a distance of 2.8 ± 0.1 Å. The implications for lead removal using capacitive deionization are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Materials Data on PbS by Materials Project

PbS crystallizes in the orthorhombic Aem2 space group. The structure is two-dimensional and consists of one PbS sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded to five equivalent S2- atoms to form a mixture of edge and corner-sharing PbS5 square pyramids. There are a spread of Pb–S bond distances ranging from 2.70–3.10 Å. S2- is bonded in a single-bond geometry to five equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbS by Materials Project

PbS is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pb2+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Pb–S bond lengths are 3.16 Å. S2- is bonded in a body-centered cubic geometry to eight equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbS by Materials Project

PbS is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent S2- atoms to form a mixture of corner and edge-sharing PbS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–S bond lengths are 3.00 Å. S2- is bonded to six equivalent Pb2+ atoms to form a mixture of corner and edge-sharing SPb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbS by Materials Project

PbS crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two PbS sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to five S2- atoms to form a mixture of distorted corner and edge-sharing PbS5 square pyramids. There are a spread of Pb–S bond distances ranging from 2.69–3.06 Å. In the second Pb2+ site, Pb2+ is bonded to five S2- atoms to form a mixture of distorted corner and edge-sharing PbS5 square pyramids. There are a spread of Pb–S bond distances ranging from 2.69–3.01 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to five Pb2+ atoms. In the second S2- site, S2- is bonded in a single-bond geometry to five Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbS by Materials Project

PbS crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of four lead;sulfanide molecules. Pb2+ is bonded in a distorted single-bond geometry to one S2- atom. The Pb–S bond length is 2.69 Å. S2- is bonded in a single-bond geometry to one Pb2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbS by Materials Project

PbS is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge, face, and corner-sharing PbS6 pentagonal pyramids. All Pb–S bond lengths are 3.03 Å. S2- is bonded to six equivalent Pb2+ atoms to form a mixture of distorted edge, face, and corner-sharing SPb6 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbS by Materials Project

PbS is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent S2- atoms to form a mixture of edge, face, and corner-sharing PbS6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are three shorter (2.84 Å) and three longer (3.31 Å) Pb–S bond lengths. S2- is bonded in a 6-coordinate geometry to six equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbS by Materials Project

PbS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent S2- atoms to form a mixture of edge, face, and corner-sharing PbS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Pb–S bond lengths are 3.03 Å. S2- is bonded to six equivalent Pb2+ atoms to form a mixture of distorted edge and corner-sharing SPb6 pentagonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbS by Materials Project

PbS crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two PbS sheets oriented in the (0, 1, 0) direction. Pb2+ is bonded to five equivalent S2- atoms to form a mixture of corner and edge-sharing PbS5 square pyramids. There are one shorter (2.71 Å) and four longer (3.01 Å) Pb–S bond lengths. S2- is bonded to five equivalent Pb2+ atoms to form a mixture of corner and edge-sharing SPb5 square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbS2 by Materials Project

PbS2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pb4+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. All Pb–S bond lengths are 3.12 Å. S2- is bonded in a 5-coordinate geometry to four equivalent Pb4+ and one S2- atom. The S–S bond length is 2.09 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbS by Materials Project

PbS crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one PbS sheet oriented in the (0, 0, 1) direction. Pb2+ is bonded to five equivalent S2- atoms to form a mixture of edge and corner-sharing PbS5 square pyramids. There are a spread of Pb–S bond distances ranging from 2.69–3.01 Å. S2- is bonded in a single-bond geometry to five equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗