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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CdBi3 by Materials Project

CdBi3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cd is bonded to twelve equivalent Bi atoms to form CdBi12 cuboctahedra that share corners with twelve equivalent CdBi12 cuboctahedra, edges with twenty-four equivalent BiCd4Bi8 cuboctahedra, faces with six equivalent CdBi12 cuboctahedra, and faces with twelve equivalent BiCd4Bi8 cuboctahedra. All Cd–Bi bond lengths are 3.50 Å. Bi is bonded to four equivalent Cd and eight equivalent Bi atoms to form BiCd4Bi8 cuboctahedra that share corners with twelve equivalent BiCd4Bi8 cuboctahedra, edges with eight equivalent CdBi12 cuboctahedra, edges with sixteen equivalent BiCd4Bi8 cuboctahedra, faces with four equivalent CdBi12 cuboctahedra, and faces with fourteen equivalent BiCd4Bi8 cuboctahedra. All Bi–Bi bond lengths are 3.50 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd3Bi by Materials Project

Cd3Bi is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cd sites. In the first Cd site, Cd is bonded to eight Cd and four equivalent Bi atoms to form distorted CdCd8Bi4 cuboctahedra that share corners with twelve equivalent CdCd8Bi4 cuboctahedra, edges with eight equivalent BiCd12 cuboctahedra, edges with sixteen CdCd8Bi4 cuboctahedra, faces with four equivalent BiCd12 cuboctahedra, and faces with fourteen CdCd8Bi4 cuboctahedra. There are four shorter (3.30 Å) and four longer (3.36 Å) Cd–Cd bond lengths. All Cd–Bi bond lengths are 3.30 Å. In the second Cd site, Cd is bonded to eight equivalent Cd and four equivalent Bi atoms to form CdCd8Bi4 cuboctahedra that share corners with four equivalent CdCd8Bi4 cuboctahedra, corners with eight equivalent BiCd12 cuboctahedra, edges with twenty-four CdCd8Bi4 cuboctahedra, faces with six equivalent BiCd12 cuboctahedra, and faces with twelve CdCd8Bi4 cuboctahedra. All Cd–Bi bond lengths are 3.36 Å. Bi is bonded to twelve Cd atoms to form BiCd12 cuboctahedra that share corners with four equivalent BiCd12 cuboctahedra, corners with eight equivalent CdCd8Bi4 cuboctahedra, edges with eight equivalent BiCd12 cuboctahedra, edges with sixteen equivalent CdCd8Bi4 cuboctahedra, faces with four equivalent BiCd12 cuboctahedra, and faces with fourteen CdCd8Bi4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CdBi3 by Materials Project

CdBi3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cd is bonded to twelve Bi atoms to form CdBi12 cuboctahedra that share corners with four equivalent CdBi12 cuboctahedra, corners with eight equivalent BiCd4Bi8 cuboctahedra, edges with eight equivalent CdBi12 cuboctahedra, edges with sixteen equivalent BiCd4Bi8 cuboctahedra, faces with four equivalent CdBi12 cuboctahedra, and faces with fourteen BiCd4Bi8 cuboctahedra. There are eight shorter (3.47 Å) and four longer (3.59 Å) Cd–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to four equivalent Cd and eight Bi atoms to form distorted BiCd4Bi8 cuboctahedra that share corners with twelve equivalent BiCd4Bi8 cuboctahedra, edges with eight equivalent CdBi12 cuboctahedra, edges with sixteen BiCd4Bi8 cuboctahedra, faces with four equivalent CdBi12 cuboctahedra, and faces with fourteen BiCd4Bi8 cuboctahedra. There are four shorter (3.47 Å) and four longer (3.59 Å) Bi–Bi bond lengths. In the second Bi site, Bi is bonded to four equivalent Cd and eight equivalent Bi atoms to form BiCd4Bi8 cuboctahedra that share corners with four equivalent BiCd4Bi8 cuboctahedra, corners with eight equivalent CdBi12 cuboctahedra, edges with twenty-four BiCd4Bi8 cuboctahedra, faces with six equivalent CdBi12 cuboctahedra, and faces with twelve BiCd4Bi8 cuboctahedra.

36 MATERIALS SCIENCE↗