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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TiCd by Materials Project

TiCd crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Cd atoms to form TiTi8Cd4 cuboctahedra that share corners with four equivalent TiTi8Cd4 cuboctahedra, corners with eight equivalent CdTi4Cd8 cuboctahedra, edges with eight equivalent TiTi8Cd4 cuboctahedra, edges with sixteen equivalent CdTi4Cd8 cuboctahedra, faces with six equivalent CdTi4Cd8 cuboctahedra, and faces with twelve equivalent TiTi8Cd4 cuboctahedra. There are four shorter (2.84 Å) and four longer (2.91 Å) Ti–Ti bond lengths. All Ti–Cd bond lengths are 3.12 Å. Cd is bonded to four equivalent Ti and eight equivalent Cd atoms to form CdTi4Cd8 cuboctahedra that share corners with four equivalent CdTi4Cd8 cuboctahedra, corners with eight equivalent TiTi8Cd4 cuboctahedra, edges with eight equivalent CdTi4Cd8 cuboctahedra, edges with sixteen equivalent TiTi8Cd4 cuboctahedra, faces with six equivalent TiTi8Cd4 cuboctahedra, and faces with twelve equivalent CdTi4Cd8 cuboctahedra. There are four shorter (2.91 Å) and four longer (3.22 Å) Cd–Cd bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2Cd by Materials Project

Ti2Cd is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Cd atoms to form TiTi8Cd4 cuboctahedra that share corners with four equivalent CdTi8Cd4 cuboctahedra, corners with eight equivalent TiTi8Cd4 cuboctahedra, edges with twelve equivalent TiTi8Cd4 cuboctahedra, edges with twelve equivalent CdTi8Cd4 cuboctahedra, faces with five equivalent CdTi8Cd4 cuboctahedra, and faces with thirteen equivalent TiTi8Cd4 cuboctahedra. There are four shorter (2.81 Å) and four longer (2.86 Å) Ti–Ti bond lengths. All Ti–Cd bond lengths are 3.15 Å. Cd is bonded to eight equivalent Ti and four equivalent Cd atoms to form CdTi8Cd4 cuboctahedra that share corners with four equivalent CdTi8Cd4 cuboctahedra, corners with eight equivalent TiTi8Cd4 cuboctahedra, edges with twenty-four equivalent TiTi8Cd4 cuboctahedra, faces with eight equivalent CdTi8Cd4 cuboctahedra, and faces with ten equivalent TiTi8Cd4 cuboctahedra. All Cd–Cd bond lengths are 2.86 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti3Cd by Materials Project

Ti3Cd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Cd atoms to form TiTi8Cd4 cuboctahedra that share corners with twelve equivalent TiTi8Cd4 cuboctahedra, edges with eight equivalent CdTi12 cuboctahedra, edges with sixteen equivalent TiTi8Cd4 cuboctahedra, faces with four equivalent CdTi12 cuboctahedra, and faces with fourteen equivalent TiTi8Cd4 cuboctahedra. All Ti–Ti bond lengths are 2.94 Å. All Ti–Cd bond lengths are 2.94 Å. Cd is bonded to twelve equivalent Ti atoms to form CdTi12 cuboctahedra that share corners with twelve equivalent CdTi12 cuboctahedra, edges with twenty-four equivalent TiTi8Cd4 cuboctahedra, faces with six equivalent CdTi12 cuboctahedra, and faces with twelve equivalent TiTi8Cd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiCd3 by Materials Project

TiCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Cd atoms to form TiCd12 cuboctahedra that share corners with six equivalent TiCd12 cuboctahedra, corners with twelve equivalent CdTi4Cd8 cuboctahedra, edges with eighteen equivalent CdTi4Cd8 cuboctahedra, faces with eight equivalent TiCd12 cuboctahedra, and faces with twelve equivalent CdTi4Cd8 cuboctahedra. There are six shorter (2.99 Å) and six longer (3.10 Å) Ti–Cd bond lengths. Cd is bonded to four equivalent Ti and eight equivalent Cd atoms to form distorted CdTi4Cd8 cuboctahedra that share corners with four equivalent TiCd12 cuboctahedra, corners with fourteen equivalent CdTi4Cd8 cuboctahedra, edges with six equivalent TiCd12 cuboctahedra, edges with twelve equivalent CdTi4Cd8 cuboctahedra, faces with four equivalent TiCd12 cuboctahedra, and faces with sixteen equivalent CdTi4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.03–3.16 Å.

36 MATERIALS SCIENCE↗