Ta3MoCo2 is Khatyrkite-derived structured and crystallizes in the orthorhombic Fmm2 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 7-coordinate geometry to three equivalent Mo(1) and four equivalent Co(1) atoms. In the second Ta site, Ta(2) is bonded in a 4-coordinate geometry to four equivalent Mo(1) and four equivalent Co(1) atoms. Mo(1) is bonded in a 15-coordinate geometry to three equivalent Ta(1), eight equivalent Ta(2), and four equivalent Co(1) atoms. Co(1) is bonded in a 10-coordinate geometry to two equivalent Ta(1), four equivalent Ta(2), two equivalent Mo(1), and two equivalent Co(1) atoms.
Ta3MoCo2 is Khatyrkite-derived structured and crystallizes in the orthorhombic Fmm2 space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 7-coordinate geometry to three equivalent Mo(1) and four equivalent Co(1) atoms. There is one shorter (2.70 Å) and two longer (2.89 Å) Ta(1)-Mo(1) bond lengths. All Ta(1)-Co(1) bond lengths are 2.60 Å. In the second Ta site, Ta(2) is bonded in a 4-coordinate geometry to four equivalent Mo(1) and four equivalent Co(1) atoms. There are a spread of Ta(2)-Mo(1) bond distances ranging from 3.13-3.23 Å. All Ta(2)-Co(1) bond lengths are 2.56 Å. Mo(1) is bonded in a 15-coordinate geometry to three equivalent Ta(1), eight equivalent Ta(2), and four equivalent Co(1) atoms. All Mo(1)-Co(1) bond lengths are 2.60 Å. Co(1) is bonded in a 10-coordinate geometry to two equivalent Ta(1), four equivalent Ta(2), two equivalent Mo(1), and two equivalent Co(1) atoms. Both Co(1)-Co(1) bond lengths are 2.46 Å.