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At least 19 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↗
DOE OSTI2020

Materials Data on PbS by Materials Project

PbS crystallizes in the orthorhombic Pma2 space group. The structure is two-dimensional and consists of one PbS sheet oriented in the (1, 0, 0) direction. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three S2- atoms. There are one shorter (2.61 Å) and two longer (2.71 Å) Pb–S bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to three S2- atoms. There are one shorter (2.66 Å) and two longer (2.82 Å) Pb–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four Pb2+ atoms to form distorted edge-sharing SPb4 trigonal pyramids. In the second S2- site, S2- is bonded in a distorted bent 120 degrees geometry to two Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbS by Materials Project

PbS crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Pb–S bond distances ranging from 2.73–3.08 Å. In the second Pb2+ site, Pb2+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing PbS6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are a spread of Pb–S bond distances ranging from 2.76–3.48 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five Pb2+ atoms to form a mixture of edge and corner-sharing SPb5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pb3S by Materials Project

(Pb)3S is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one hydrogen sulfide molecule and one Pb framework. In the Pb framework, Pb is bonded in a 8-coordinate geometry to eight equivalent Pb atoms. All Pb–Pb bond lengths are 3.42 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbS by Materials Project

PbS crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Pb–S bond distances ranging from 2.65–3.27 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four S2- atoms. There are two shorter (2.65 Å) and two longer (3.04 Å) Pb–S bond lengths. In the third Pb2+ site, Pb2+ is bonded to six S2- atoms to form distorted face-sharing PbS6 pentagonal pyramids. There are two shorter (2.87 Å) and four longer (3.15 Å) Pb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Pb2+ atoms to form distorted SPb5 trigonal bipyramids that share corners with three equivalent SPb5 trigonal bipyramids, edges with two equivalent SPb4 tetrahedra, and edges with three equivalent SPb5 trigonal bipyramids. In the second S2- site, S2- is bonded to four Pb2+ atoms to form SPb4 tetrahedra that share corners with two equivalent SPb4 tetrahedra and edges with four equivalent SPb5 trigonal bipyramids. In the third S2- site, S2- is bonded in a 2-coordinate geometry to six Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbS by Materials Project

PbS is Halite, Rock Salt structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent S2- atoms to form a mixture of edge and corner-sharing PbS6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are three shorter (2.93 Å) and three longer (3.09 Å) Pb–S bond lengths. S2- is bonded to six equivalent Pb2+ atoms to form a mixture of edge and corner-sharing SPb6 octahedra. The corner-sharing octahedral tilt angles are 4°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbS2 by Materials Project

PbS2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one PbS2 sheet oriented in the (0, 0, 1) direction. Pb4+ is bonded to six equivalent S2- atoms to form edge-sharing PbS6 octahedra. All Pb–S bond lengths are 2.72 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Pb4+ atoms.

36 MATERIALS SCIENCE↗