Ti4Ni2Ga3 is gamma-brass-derived structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 13-coordinate geometry to one Ti(2), two equivalent Ti(1), four equivalent Ni(1), and six equivalent Ga(1) atoms. In the second Ti site, Ti(2) is bonded in a 11-coordinate geometry to two equivalent Ti(2), three equivalent Ti(1), and six equivalent Ga(1) atoms. Ni(1) is bonded in a 11-coordinate geometry to six equivalent Ti(1), two equivalent Ni(1), and three equivalent Ga(1) atoms. Ga(1) is bonded to two equivalent Ti(2), six equivalent Ti(1), two equivalent Ni(1), and two equivalent Ga(1) atoms to form a mixture of distorted edge, face, and corner-sharing GaTi8Ga2Ni2 cuboctahedra.
Ti4Ni2Ga3 is gamma-brass-derived structured and crystallizes in the hexagonal P-62m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 13-coordinate geometry to one Ti(2), two equivalent Ti(1), four equivalent Ni(1), and six equivalent Ga(1) atoms. The Ti(1)-Ti(2) bond length is 2.69 Å. Both Ti(1)-Ti(1) bond lengths are 2.82 Å. All Ti(1)-Ni(1) bond lengths are 2.72 Å. There are two shorter (2.73 Å) and four longer (2.88 Å) Ti(1)-Ga(1) bond lengths. In the second Ti site, Ti(2) is bonded in a 11-coordinate geometry to two equivalent Ti(2), three equivalent Ti(1), and six equivalent Ga(1) atoms. Both Ti(2)-Ti(2) bond lengths are 2.82 Å. All Ti(2)-Ga(1) bond lengths are 2.70 Å. Ni(1) is bonded in a 11-coordinate geometry to six equivalent Ti(1), two equivalent Ni(1), and three equivalent Ga(1) atoms. Both Ni(1)-Ni(1) bond lengths are 2.82 Å. All Ni(1)-Ga(1) bond lengths are 2.52 Å. Ga(1) is bonded to two equivalent Ti(2), six equivalent Ti(1), two equivalent Ni(1), and two equivalent Ga(1) atoms to form a mixture of distorted edge, face, and corner-sharing GaTi8Ga2Ni2 cuboctahedra. Both Ga(1)-Ga(1) bond lengths are 2.82 Å.