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Materials Data on TiCu by Materials Project

TiCu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Ti–Cu bond lengths are 2.66 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ti3Cu by Materials Project

CuTi3 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 Cu atoms to form TiTi8Cu4 cuboctahedra that share corners with twelve equivalent TiTi8Cu4 cuboctahedra, edges with eight equivalent CuTi12 cuboctahedra, edges with sixteen equivalent TiTi8Cu4 cuboctahedra, faces with four equivalent CuTi12 cuboctahedra, and faces with fourteen equivalent TiTi8Cu4 cuboctahedra. All Ti–Ti bond lengths are 2.81 Å. All Ti–Cu bond lengths are 2.81 Å. Cu is bonded to twelve equivalent Ti atoms to form CuTi12 cuboctahedra that share corners with twelve equivalent CuTi12 cuboctahedra, edges with twenty-four equivalent TiTi8Cu4 cuboctahedra, faces with six equivalent CuTi12 cuboctahedra, and faces with twelve equivalent TiTi8Cu4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on TiCu3 by Materials Project

Cu3Ti is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Ti is bonded to twelve Cu atoms to form TiCu12 cuboctahedra that share corners with two equivalent TiCu12 cuboctahedra, corners with sixteen CuTi4Cu8 cuboctahedra, edges with six equivalent TiCu12 cuboctahedra, edges with twelve equivalent CuTi4Cu8 cuboctahedra, faces with six equivalent TiCu12 cuboctahedra, and faces with fourteen CuTi4Cu8 cuboctahedra. There are a spread of Ti–Cu bond distances ranging from 2.58–2.71 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Ti and eight Cu atoms to form distorted CuTi4Cu8 cuboctahedra that share corners with four equivalent TiCu12 cuboctahedra, corners with fourteen CuTi4Cu8 cuboctahedra, edges with six equivalent TiCu12 cuboctahedra, edges with twelve CuTi4Cu8 cuboctahedra, faces with four equivalent TiCu12 cuboctahedra, and faces with sixteen CuTi4Cu8 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.54–2.75 Å. In the second Cu site, Cu is bonded to four equivalent Ti and eight equivalent Cu atoms to form distorted CuTi4Cu8 cuboctahedra that share corners with eight equivalent TiCu12 cuboctahedra, corners with ten CuTi4Cu8 cuboctahedra, edges with eighteen CuTi4Cu8 cuboctahedra, faces with six equivalent TiCu12 cuboctahedra, and faces with fourteen CuTi4Cu8 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on TiCu by Materials Project

TiCu is gamma CuTi structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one TiCu sheet oriented in the (0, 0, 1) direction. Ti is bonded in a 10-coordinate geometry to five equivalent Cu atoms. There are four shorter (2.64 Å) and one longer (2.76 Å) Ti–Cu bond lengths. Cu is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Cu atoms. All Cu–Cu bond lengths are 2.56 Å.

36 MATERIALS SCIENCE↗

Materials Data on Ti2Cu3 by Materials Project

Ti2Cu3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti is bonded in a 9-coordinate geometry to nine Cu atoms. There are a spread of Ti–Cu bond distances ranging from 2.63–2.68 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a body-centered cubic geometry to eight equivalent Ti atoms. In the second Cu site, Cu is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Cu atoms. All Cu–Cu bond lengths are 2.55 Å.

36 MATERIALS SCIENCE↗

Materials Data on Ti2Cu3 by Materials Project

Ti2Cu3 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 10-coordinate geometry to six Cu atoms. There are a spread of Ti–Cu bond distances ranging from 2.66–3.14 Å. In the second Ti site, Ti is bonded in a distorted q6 geometry to ten Cu atoms. There are a spread of Ti–Cu bond distances ranging from 2.62–2.66 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to five equivalent Ti and five Cu atoms. There are four shorter (2.55 Å) and one longer (2.79 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded in a 10-coordinate geometry to five Ti and five Cu atoms. All Cu–Cu bond lengths are 2.57 Å. In the third Cu site, Cu is bonded in a 10-coordinate geometry to six Ti and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ti2Cu by Materials Project

Ti2Cu crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Ti2Cu sheets oriented in the (0, 0, 1) direction. Ti is bonded in a 12-coordinate geometry to four equivalent Cu atoms. All Ti–Cu bond lengths are 2.71 Å. Cu is bonded in a distorted body-centered cubic geometry to eight equivalent Ti atoms.

36 MATERIALS SCIENCE↗