Ti2PdH2 crystallizes in the tetragonal I4/mmm space group. Ti(1) is bonded to four equivalent Pd(1) and five equivalent H(1) atoms to form distorted TiH5Pd4 square pyramids that share corners with four equivalent Ti(1)H5Pd4 square pyramids, corners with eight equivalent H(1)Ti5Pd square pyramids, edges with twelve equivalent Ti(1)H5Pd4 square pyramids, and faces with five equivalent Ti(1)H5Pd4 square pyramids. Pd(1) is bonded in a 14-coordinate geometry to eight equivalent Ti(1), four equivalent Pd(1), and two equivalent H(1) atoms. H(1) is bonded to five equivalent Ti(1) and one Pd(1) atom to form distorted HTi5Pd square pyramids that share corners with five equivalent H(1)Ti5Pd square pyramids, corners with eight equivalent Ti(1)H5Pd4 square pyramids, and edges with eight equivalent H(1)Ti5Pd square pyramids.
Ti2PdH2 crystallizes in the tetragonal I4/mmm space group. Ti(1) is bonded to four equivalent Pd(1) and five equivalent H(1) atoms to form distorted TiH5Pd4 square pyramids that share corners with four equivalent Ti(1)H5Pd4 square pyramids, corners with eight equivalent H(1)Ti5Pd square pyramids, edges with twelve equivalent Ti(1)H5Pd4 square pyramids, and faces with five equivalent Ti(1)H5Pd4 square pyramids. All Ti(1)-Pd(1) bond lengths are 2.84 Å. There is one shorter (1.93 Å) and four longer (2.05 Å) Ti(1)-H(1) bond lengths. Pd(1) is bonded in a 14-coordinate geometry to eight equivalent Ti(1), four equivalent Pd(1), and two equivalent H(1) atoms. All Pd(1)-Pd(1) bond lengths are 2.86 Å. Both Pd(1)-H(1) bond lengths are 2.33 Å. H(1) is bonded to five equivalent Ti(1) and one Pd(1) atom to form distorted HTi5Pd square pyramids that share corners with five equivalent H(1)Ti5Pd square pyramids, corners with eight equivalent Ti(1)H5Pd4 square pyramids, and edges with eight equivalent H(1)Ti5Pd square pyramids.