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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CaZnPb by Materials Project

CaZnPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca is bonded to six equivalent Zn and six equivalent Pb atoms to form a mixture of edge and face-sharing CaZn6Pb6 cuboctahedra. All Ca–Zn bond lengths are 3.40 Å. All Ca–Pb bond lengths are 3.40 Å. Zn is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Pb atoms. All Zn–Pb bond lengths are 2.76 Å. Pb is bonded in a 3-coordinate geometry to six equivalent Ca and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2ZnPb by Materials Project

Ca2ZnPb crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2ZnPb ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to one Zn and one Pb atom. The Ca–Zn bond length is 3.22 Å. The Ca–Pb bond length is 3.02 Å. Zn 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 Ca2ZnPb by Materials Project

Ca2ZnPb 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 Zn and four equivalent Pb atoms. All Ca–Zn bond lengths are 3.32 Å. All Ca–Pb bond lengths are 3.32 Å. Zn 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 CaZnPb by Materials Project

CaZnPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ca is bonded in a 9-coordinate geometry to three equivalent Zn and six equivalent Pb atoms. All Ca–Zn bond lengths are 3.13 Å. There are three shorter (3.24 Å) and three longer (3.53 Å) Ca–Pb bond lengths. Zn is bonded in a 7-coordinate geometry to three equivalent Ca and four equivalent Pb atoms. There are three shorter (2.87 Å) and one longer (3.12 Å) Zn–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Zn atoms.

36 MATERIALS SCIENCE↗