LiGaBr3 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Br(1), two equivalent Br(3), and two equivalent Br(4) atoms to form corner-sharing LiBr6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. In the second Li site, Li(2) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form corner-sharing LiBr6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted trigonal non-coplanar geometry to one Br(2) and two equivalent Br(3) atoms. In the second Ga site, Ga(2) is bonded in a distorted trigonal non-coplanar geometry to one Br(4) and two equivalent Br(1) atoms. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Ga(2) atom. In the second Br site, Br(2) is bonded in a trigonal non-coplanar geometry to two equivalent Li(2) and one Ga(1) atom. In the third Br site, Br(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Ga(1) atom. In the fourth Br site, Br(4) is bonded in a T-shaped geometry to two equivalent Li(1) and one Ga(2) atom.
LiGaBr3 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Br(1), two equivalent Br(3), and two equivalent Br(4) atoms to form corner-sharing LiBr6 octahedra. The corner-sharing octahedral tilt angles range from 40-46°. Both Li(1)-Br(1) bond lengths are 2.69 Å. Both Li(1)-Br(3) bond lengths are 2.87 Å. Both Li(1)-Br(4) bond lengths are 2.78 Å. In the second Li site, Li(2) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form corner-sharing LiBr6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. Both Li(2)-Br(1) bond lengths are 2.77 Å. Both Li(2)-Br(2) bond lengths are 2.87 Å. Both Li(2)-Br(3) bond lengths are 2.81 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted trigonal non-coplanar geometry to one Br(2) and two equivalent Br(3) atoms. The Ga(1)-Br(2) bond length is 2.40 Å. Both Ga(1)-Br(3) bond lengths are 2.41 Å. In the second Ga site, Ga(2) is bonded in a distorted trigonal non-coplanar geometry to one Br(4) and two equivalent Br(1) atoms. The Ga(2)-Br(4) bond length is 2.40 Å. Both Ga(2)-Br(1) bond lengths are 2.40 Å. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted T-shaped geometry to one Li(1), one Li(2), and one Ga(2) atom. In the second Br site, Br(2) is bonded in a trigonal non-coplanar geometry to two equivalent Li(2) and one Ga(1) atom. In the third Br site, Br(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one Ga(1) atom. In the fourth Br site, Br(4) is bonded in a T-shaped geometry to two equivalent Li(1) and one Ga(2) atom.