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At least 1,225 records · Page 68
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DOE OSTI2020

Materials Data on HgBiPb2 by Materials Project

HgPb2Bi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HgPb2Bi ribbons oriented in the (1, 0, 0) direction. Hg is bonded in a distorted linear geometry to two equivalent Pb atoms. Both Hg–Pb bond lengths are 3.56 Å. Pb is bonded in a distorted single-bond geometry to one Hg and one Bi atom. The Pb–Bi bond length is 2.81 Å. Bi is bonded in a linear geometry to two equivalent Pb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErNiPb by Materials Project

ErNiPb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five equivalent Ni and six equivalent Pb atoms. There are a spread of Er–Ni bond distances ranging from 2.97–3.15 Å. There are a spread of Er–Pb bond distances ranging from 3.21–3.31 Å. Ni is bonded in a 9-coordinate geometry to five equivalent Er and four equivalent Pb atoms. There are a spread of Ni–Pb bond distances ranging from 2.65–2.89 Å. Pb is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La5Pb3Cl by Materials Project

La5Pb3Cl crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Pb and two equivalent Cl atoms. There are a spread of La–Pb bond distances ranging from 3.34–3.66 Å. Both La–Cl bond lengths are 3.10 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.50 Å. Pb is bonded in a 9-coordinate geometry to nine La atoms. Cl is bonded to six equivalent La atoms to form face-sharing ClLa6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr5InPb3 by Materials Project

Zr5InPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Zr–Pb bond lengths are 3.18 Å. In the second Zr site, Zr is bonded to two equivalent In and five equivalent Pb atoms to form a mixture of distorted edge, face, and corner-sharing ZrIn2Pb5 pentagonal bipyramids. Both Zr–In bond lengths are 2.93 Å. There are a spread of Zr–Pb bond distances ranging from 3.04–3.15 Å. In is bonded to six equivalent Zr atoms to form distorted face-sharing InZr6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf4Ti(PbO3)5 by Materials Project

Hf4Ti(PbO3)5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.89 Å) and one longer (1.92 Å) Hf–O bond length. In the second Hf4+ site, Hf4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Hf–O bond distances ranging from 1.89–1.92 Å. In the third Hf4+ site, Hf4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Hf–O bond distances ranging from 1.89–1.92 Å. In the fourth Hf4+ site, Hf4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Hf–O bond lengths are 1.90 Å. Ti4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.78 Å) and one longer (1.79 Å) Ti–O bond length. There are five inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.26–3.16 Å. In the second Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.28–2.30 Å. In the third Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.27–2.31 Å. In the fourth Pb2+ site, Pb2+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are two shorter (2.21 Å) and one longer (2.22 Å) Pb–O bond lengths. In the fifth Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.26–2.30 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Hf4+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Hf4+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Hf4+ and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Hf4+ and two Pb2+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Pb2+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Hf4+ and one Pb2+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Hf4+ and two Pb2+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Pb2+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one Hf4+ and one Pb2+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one Hf4+ and one Pb2+ atom. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to one Hf4+ and one Pb2+ atom. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to one Hf4+ and one Pb2+ atom. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Hf4+ and two Pb2+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Pb2+ atom. In the fifteenth O2- site, O2- is bonded in a 2-coordinate geometry to one Hf4+ and one Pb2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaYbPb2 by Materials Project

NaYbPb2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent Pb atoms. All Na–Pb bond lengths are 3.35 Å. Yb is bonded in a body-centered cubic geometry to eight equivalent Pb atoms. All Yb–Pb bond lengths are 3.35 Å. Pb is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdNiPb by Materials Project

GdNiPb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to five equivalent Ni and six equivalent Pb atoms. There are a spread of Gd–Ni bond distances ranging from 3.07–3.21 Å. There are a spread of Gd–Pb bond distances ranging from 3.24–3.38 Å. Ni is bonded in a 9-coordinate geometry to five equivalent Gd and four equivalent Pb atoms. There are a spread of Ni–Pb bond distances ranging from 2.70–2.97 Å. Pb is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbCuPb by Materials Project

YbCuPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to six equivalent Cu and six equivalent Pb atoms to form a mixture of edge and face-sharing YbCu6Pb6 cuboctahedra. All Yb–Cu bond lengths are 3.26 Å. All Yb–Pb bond lengths are 3.26 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Yb and three equivalent Pb atoms. All Cu–Pb bond lengths are 2.72 Å. Pb is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiMgPb2 by Materials Project

LiMgPb2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiMgPb2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Pb atoms. Both Li–Pb bond lengths are 2.78 Å. Mg is bonded in a linear geometry to two equivalent Pb atoms. Both Mg–Pb bond lengths are 2.83 Å. Pb is bonded in a linear geometry to one Li and one Mg atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y5Pb3 by Materials Project

Y5Pb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Y–Pb bond lengths are 3.25 Å. In the second Y site, Y is bonded in a 5-coordinate geometry to five equivalent Pb atoms. There are a spread of Y–Pb bond distances ranging from 3.13–3.63 Å. Pb is bonded in a 9-coordinate geometry to nine Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La5CrPb3 by Materials Project

La5CrPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded to two equivalent Cr and five equivalent Pb atoms to form a mixture of distorted face, edge, and corner-sharing LaCr2Pb5 pentagonal bipyramids. Both La–Cr bond lengths are 3.03 Å. There are a spread of La–Pb bond distances ranging from 3.42–3.78 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.50 Å. Cr is bonded to six equivalent La atoms to form face-sharing CrLa6 octahedra. Pb is bonded in a 9-coordinate geometry to nine La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La5AsPb3 by Materials Project

La5Pb3As crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Pb and two equivalent As atoms. There are a spread of La–Pb bond distances ranging from 3.40–4.00 Å. Both La–As bond lengths are 2.98 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.49 Å. Pb is bonded in a 9-coordinate geometry to nine La atoms. As is bonded to six equivalent La atoms to form face-sharing AsLa6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiAgPb2 by Materials Project

LiAgPb2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiAgPb2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Pb atoms. Both Li–Pb bond lengths are 2.86 Å. Ag is bonded in a linear geometry to two equivalent Pb atoms. Both Ag–Pb bond lengths are 2.69 Å. Pb is bonded in a linear geometry to one Li and one Ag atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PuPbAu2 by Materials Project

PuAu2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pu is bonded in a body-centered cubic geometry to eight equivalent Au and six equivalent Pb atoms. All Pu–Au bond lengths are 3.10 Å. All Pu–Pb bond lengths are 3.58 Å. Au is bonded in a body-centered cubic geometry to four equivalent Pu and four equivalent Pb atoms. All Au–Pb bond lengths are 3.10 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Pu and eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrPbAu2 by Materials Project

PrAu2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a distorted body-centered cubic geometry to eight equivalent Au and six equivalent Pb atoms. All Pr–Au bond lengths are 3.17 Å. All Pr–Pb bond lengths are 3.66 Å. Au is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent Pb atoms. All Au–Pb bond lengths are 3.17 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Pr and eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La5PPb3 by Materials Project

La5Pb3P crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 7-coordinate geometry to five equivalent Pb and two equivalent P atoms. There are a spread of La–Pb bond distances ranging from 3.38–4.00 Å. Both La–P bond lengths are 2.93 Å. In the second La site, La is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All La–Pb bond lengths are 3.47 Å. Pb is bonded in a 9-coordinate geometry to nine La atoms. P is bonded to six equivalent La atoms to form face-sharing PLa6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCuPb by Materials Project

CeCuPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Cu and six equivalent Pb atoms. There are three shorter (3.07 Å) and three longer (3.58 Å) Ce–Cu bond lengths. There are three shorter (3.22 Å) and three longer (3.38 Å) Ce–Pb bond lengths. Cu is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Pb atoms. There are three shorter (2.79 Å) and one longer (3.13 Å) Cu–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3Pb by Materials Project

Er3Pb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent Pb atoms to form distorted ErEr8Pb4 cuboctahedra that share corners with twelve equivalent ErEr8Pb4 cuboctahedra, edges with eight equivalent ErEr8Pb4 cuboctahedra, edges with eight equivalent PbEr12 cuboctahedra, faces with four equivalent PbEr12 cuboctahedra, and faces with ten equivalent ErEr8Pb4 cuboctahedra. There are four shorter (3.29 Å) and four longer (3.52 Å) Er–Er bond lengths. All Er–Pb bond lengths are 3.52 Å. In the second Er site, Er is bonded in a square co-planar geometry to eight equivalent Er and four equivalent Pb atoms. All Er–Pb bond lengths are 3.29 Å. Pb is bonded to twelve Er atoms to form PbEr12 cuboctahedra that share corners with four equivalent PbEr12 cuboctahedra, edges with eight equivalent PbEr12 cuboctahedra, edges with sixteen equivalent ErEr8Pb4 cuboctahedra, faces with four equivalent PbEr12 cuboctahedra, and faces with eight equivalent ErEr8Pb4 cuboctahedra.

36 MATERIALS SCIENCE↗