Materials Data on Ga2NiCl8 by Materials Project
NiGa2Cl8 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two NiGa2Cl8 ribbons oriented in the (0, 0, 1) direction. Ni2+ is bonded to six Cl1- atoms to form NiCl6 octahedra that share corners with two equivalent GaCl4 tetrahedra and edges with two equivalent GaCl4 tetrahedra. There are a spread of Ni–Cl bond distances ranging from 2.41–2.46 Å. Ga3+ is bonded to four Cl1- atoms to form GaCl4 tetrahedra that share a cornercorner with one NiCl6 octahedra and an edgeedge with one NiCl6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Ga–Cl bond distances ranging from 2.14–2.24 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to one Ni2+ and one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the third Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one Ni2+ and one Ga3+ atom. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to one Ni2+ and one Ga3+ atom.