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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ca2PbAu2 by Materials Project

Ca2Au2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Pb atoms. There are two shorter (3.04 Å) and four longer (3.11 Å) Ca–Au bond lengths. All Ca–Pb bond lengths are 3.59 Å. Au is bonded in a 6-coordinate geometry to six equivalent Ca and two equivalent Pb atoms. Both Au–Pb bond lengths are 3.28 Å. Pb is bonded to eight equivalent Ca and four equivalent Au atoms to form a mixture of corner and face-sharing PbCa8Au4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2PbAu by Materials Project

Ca2AuPb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2AuPb ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to one Au and one Pb atom. The Ca–Au bond length is 2.87 Å. The Ca–Pb bond length is 3.07 Å. Au is bonded in a linear geometry to two equivalent Ca atoms. Pb is bonded in a linear geometry to two equivalent Ca atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2PbAu by Materials Project

Ca2AuPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Pb atoms. All Ca–Au bond lengths are 3.28 Å. All Ca–Pb bond lengths are 3.28 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaPbAu2 by Materials Project

CaAu2Pb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CaAu2Pb ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to two equivalent Au atoms. Both Ca–Au bond lengths are 2.72 Å. Au is bonded in a linear geometry to one Ca and one Pb atom. The Au–Pb bond length is 2.82 Å. Pb is bonded in a linear geometry to two equivalent Au atoms.

36 MATERIALS SCIENCE↗