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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZnBi3 by Materials Project

ZnBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zn is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms. All Zn–Bi bond lengths are 3.40 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Zn and eight Bi atoms to form a mixture of distorted edge, face, and corner-sharing BiZn4Bi8 cuboctahedra. There are four shorter (3.40 Å) and four longer (3.57 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Bi atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnBi3 by Materials Project

ZnBi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Zn is bonded to twelve equivalent Bi atoms to form ZnBi12 cuboctahedra that share corners with twelve equivalent ZnBi12 cuboctahedra, edges with twenty-four equivalent BiZn4Bi8 cuboctahedra, faces with six equivalent ZnBi12 cuboctahedra, and faces with twelve equivalent BiZn4Bi8 cuboctahedra. All Zn–Bi bond lengths are 3.45 Å. Bi is bonded to four equivalent Zn and eight equivalent Bi atoms to form BiZn4Bi8 cuboctahedra that share corners with twelve equivalent BiZn4Bi8 cuboctahedra, edges with eight equivalent ZnBi12 cuboctahedra, edges with sixteen equivalent BiZn4Bi8 cuboctahedra, faces with four equivalent ZnBi12 cuboctahedra, and faces with fourteen equivalent BiZn4Bi8 cuboctahedra. All Bi–Bi bond lengths are 3.45 Å.

36 MATERIALS SCIENCE↗