CaNi2Ga3 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 7-coordinate geometry to three equivalent Ga(2) and eight equivalent Ga(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to two equivalent Ga(2) and four equivalent Ga(1) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to four equivalent Ca(1), four equivalent Ni(1), one Ga(2), and two equivalent Ga(1) atoms. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to three equivalent Ca(1), four equivalent Ni(1), two equivalent Ga(1), and two equivalent Ga(2) atoms.
CaNi2Ga3 crystallizes in the orthorhombic Cmcm space group. Ca(1) is bonded in a 7-coordinate geometry to three equivalent Ga(2) and eight equivalent Ga(1) atoms. There is one shorter (3.09 Å) and two longer (3.39 Å) Ca(1)-Ga(2) bond lengths. There are a spread of Ca(1)-Ga(1) bond distances ranging from 3.17-3.49 Å. Ni(1) is bonded in a 6-coordinate geometry to two equivalent Ga(2) and four equivalent Ga(1) atoms. Both Ni(1)-Ga(2) bond lengths are 2.44 Å. There are two shorter (2.36 Å) and two longer (2.52 Å) Ni(1)-Ga(1) bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 11-coordinate geometry to four equivalent Ca(1), four equivalent Ni(1), one Ga(2), and two equivalent Ga(1) atoms. The Ga(1)-Ga(2) bond length is 2.54 Å. Both Ga(1)-Ga(1) bond lengths are 2.84 Å. In the second Ga site, Ga(2) is bonded in a 11-coordinate geometry to three equivalent Ca(1), four equivalent Ni(1), two equivalent Ga(1), and two equivalent Ga(2) atoms. Both Ga(2)-Ga(2) bond lengths are 2.69 Å.