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24 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ca3Zn by Materials Project

Ca3Zn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a body-centered cubic geometry to eight equivalent Ca atoms. All Ca–Ca bond lengths are 3.45 Å. In the second Ca site, Ca is bonded to four equivalent Ca and four equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing CaCa4Zn4 tetrahedra. All Ca–Zn bond lengths are 3.45 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaZn by Materials Project

CaZn is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded to four equivalent Zn atoms to form corner-sharing CaZn4 tetrahedra. All Ca–Zn bond lengths are 2.93 Å. Zn is bonded to four equivalent Ca atoms to form corner-sharing ZnCa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Zn by Materials Project

Ca3Zn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to eight equivalent Ca and four equivalent Zn atoms to form distorted CaCa8Zn4 cuboctahedra that share corners with twelve equivalent CaCa8Zn4 cuboctahedra, edges with eight equivalent ZnCa12 cuboctahedra, edges with sixteen equivalent CaCa8Zn4 cuboctahedra, faces with four equivalent ZnCa12 cuboctahedra, and faces with fourteen equivalent CaCa8Zn4 cuboctahedra. All Ca–Ca bond lengths are 3.59 Å. All Ca–Zn bond lengths are 3.59 Å. Zn is bonded to twelve equivalent Ca atoms to form ZnCa12 cuboctahedra that share corners with twelve equivalent ZnCa12 cuboctahedra, edges with twenty-four equivalent CaCa8Zn4 cuboctahedra, faces with six equivalent ZnCa12 cuboctahedra, and faces with twelve equivalent CaCa8Zn4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaZn by Materials Project

CaZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Ca–Zn bond lengths are 3.21 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaZn by Materials Project

CaZn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ca is bonded to five equivalent Zn atoms to form a mixture of edge and corner-sharing CaZn5 trigonal bipyramids. There are a spread of Ca–Zn bond distances ranging from 3.00–3.12 Å. Zn is bonded to five equivalent Ca atoms to form a mixture of edge and corner-sharing ZnCa5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaZn by Materials Project

CaZn is Tungsten Carbide-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca is bonded to six equivalent Zn atoms to form a mixture of distorted edge and corner-sharing CaZn6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–Zn bond lengths are 3.12 Å. Zn is bonded to six equivalent Ca atoms to form a mixture of distorted edge and corner-sharing ZnCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗