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DOE OSTI · 1690910

Materials Data on Zn7Tc by Materials Project

Abstract

TcZn7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tc is bonded to twelve Zn atoms to form TcZn12 cuboctahedra that share corners with twelve equivalent TcZn12 cuboctahedra, edges with twenty-four ZnZn10Tc2 cuboctahedra, and faces with eighteen ZnZn10Tc2 cuboctahedra. All Tc–Zn bond lengths are 2.74 Å. There are twenty-five inequivalent Zn sites. In the first Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. All Zn–Zn bond lengths are 2.74 Å. In the second Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. All Zn–Zn bond lengths are 2.74 Å. In the third Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. All Zn–Zn bond lengths are 2.74 Å. In the fourth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn12 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. All Zn–Zn bond lengths are 2.74 Å. In the fifth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. All Zn–Zn bond lengths are 2.74 Å. In the sixth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. All Zn–Zn bond lengths are 2.74 Å. In the seventh Zn site, Zn is bonded to twelve Zn atoms to form ZnZn12 cuboctahedra that share corners with twelve equivalent ZnZn12 cuboctahedra, edges with twenty-four ZnZn10Tc2 cuboctahedra, faces with six equivalent TcZn12 cuboctahedra, and faces with twelve ZnZn10Tc2 cuboctahedra. All Zn–Zn bond lengths are 2.74 Å. In the eighth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. All Zn–Zn bond lengths are 2.74 Å. In the ninth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. All Zn–Zn bond lengths are 2.74 Å. In the tenth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn12 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. Both Zn–Tc bond lengths are 2.74 Å. All Zn–Zn bond lengths are 2.74 Å. In the eleventh Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. Both Zn–Tc bond lengths are 2.74 Å. All Zn–Zn bond lengths are 2.74 Å. In the twelfth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. Both Zn–Tc bond lengths are 2.74 Å. Both Zn–Zn bond lengths are 2.74 Å. In the thirteenth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. Both Zn–Tc bond lengths are 2.74 Å. Both Zn–Zn bond lengths are 2.74 Å. In the fourteenth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. Both Zn–Tc bond lengths are 2.74 Å. All Zn–Zn bond lengths are 2.74 Å. In the fifteenth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. Both Zn–Tc bond lengths are 2.74 Å. All Zn–Zn bond lengths are 2.74 Å. In the sixteenth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. All Zn–Zn bond lengths are 2.74 Å. In the seventeenth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. All Zn–Zn bond lengths are 2.74 Å. In the eighteenth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. Both Zn–Tc bond lengths are 2.74 Å. All Zn–Zn bond lengths are 2.74 Å. In the nineteenth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. Both Zn–Tc bond lengths are 2.74 Å. All Zn–Zn bond lengths are 2.74 Å. In the twentieth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. Both Zn–Tc bond lengths are 2.74 Å. All Zn–Zn bond lengths are 2.74 Å. In the twenty-first Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. Both Zn–Tc bond lengths are 2.74 Å. All Zn–Zn bond lengths are 2.74 Å. In the twenty-second Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn12 cuboctahedra. Both Zn–Tc bond lengths are 2.74 Å. All Zn–Zn bond lengths are 2.74 Å. In the twenty-third Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. Both Zn–Tc bond lengths are 2.74 Å. All Zn–Zn bond lengths are 2.74 Å. In the twenty-fourth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. Both Zn–Zn bond lengths are 2.74 Å. In the twenty-fifth Zn site, Zn is bonded to two equivalent Tc and ten Zn atoms to form ZnZn10Tc2 cuboctahedra that share corners with twelve ZnZn10Tc2 cuboctahedra, edges with four equivalent TcZn12 cuboctahedra, edges with twenty ZnZn10Tc2 cuboctahedra, faces with two equivalent TcZn12 cuboctahedra, and faces with sixteen ZnZn10Tc2 cuboctahedra. Both Zn–Zn bond lengths are 2.74 Å.

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2020-05-04. Materials Data on Zn7Tc by Materials Project. https://doi.org/10.17188/1690910

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