Li4CrGa3O8 is Stannite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, corners with two equivalent Ga(2)O4 tetrahedra, and corners with two equivalent Ga(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, corners with two equivalent Ga(2)O4 tetrahedra, and corners with two equivalent Ga(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, corners with two equivalent Ga(2)O4 tetrahedra, and corners with two equivalent Ga(3)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, corners with two equivalent Ga(2)O4 tetrahedra, and corners with two equivalent Ga(3)O4 tetrahedra. Cr(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form CrO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, and corners with two equivalent Ga(2)O4 tetrahedra. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form GaO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, and corners with two equivalent Ga(3)O4 tetrahedra. In the second Ga site, Ga(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form GaO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, and corners with two equivalent Ga(3)O4 tetrahedra. In the third Ga site, Ga(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form GaO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, and corners with two equivalent Ga(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Cr(1), and one Ga(1) atom to form OLi2CrGa tetrahedra that share corners with two equivalent O(2)Li2CrGa tetrahedra, corners with two equivalent O(6)Li2CrGa tetrahedra, corners with two equivalent O(8)Li2CrGa tetrahedra, corners with two equivalent O(3)Li2Ga2 tetrahedra, corners with two equivalent O(5)Li2Ga2 tetrahedra, and corners with two equivalent O(7)Li2Ga2 tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Cr(1), and one Ga(2) atom to form OLi2CrGa tetrahedra that share corners with two equivalent O(1)Li2CrGa tetrahedra, corners with two equivalent O(6)Li2CrGa tetrahedra, corners with two equivalent O(8)Li2CrGa tetrahedra, corners with two equivalent O(4)Li2Ga2 tetrahedra, corners with two equivalent O(5)Li2Ga2 tetrahedra, and corners with two equivalent O(7)Li2Ga2 tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Ga(1), and one Ga(3) atom to form OLi2Ga2 tetrahedra that share corners with two equivalent O(1)Li2CrGa tetrahedra, corners with two equivalent O(6)Li2CrGa tetrahedra, corners with two equivalent O(8)Li2CrGa tetrahedra, corners with two equivalent O(4)Li2Ga2 tetrahedra, corners with two equivalent O(5)Li2Ga2 tetrahedra, and corners with two equivalent O(7)Li2Ga2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Ga(2), and one Ga(3) atom to form OLi2Ga2 tetrahedra that share corners with two equivalent O(2)Li2CrGa tetrahedra, corners with two equivalent O(6)Li2CrGa tetrahedra, corners with two equivalent O(8)Li2CrGa tetrahedra, corners with two equivalent O(3)Li2Ga2 tetrahedra, corners with two equivalent O(5)Li2Ga2 tetrahedra, and corners with two equivalent O(7)Li2Ga2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Ga(2), and one Ga(3) atom to form OLi2Ga2 tetrahedra that share corners with two equivalent O(1)Li2CrGa tetrahedra, corners with two equivalent O(2)Li2CrGa tetrahedra, corners with two equivalent O(6)Li2CrGa tetrahedra, corners with two equivalent O(3)Li2Ga2 tetrahedra, corners with two equivalent O(4)Li2Ga2 tetrahedra, and corners with two equivalent O(7)Li2Ga2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Cr(1), and one Ga(2) atom to form OLi2CrGa tetrahedra that share corners with two equivalent O(1)Li2CrGa tetrahedra, corners with two equivalent O(2)Li2CrGa tetrahedra, corners with two equivalent O(8)Li2CrGa tetrahedra, corners with two equivalent O(3)Li2Ga2 tetrahedra, corners with two equivalent O(4)Li2Ga2 tetrahedra, and corners with two equivalent O(5)Li2Ga2 tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Ga(1), and one Ga(3) atom to form OLi2Ga2 tetrahedra that share corners with two equivalent O(1)Li2CrGa tetrahedra, corners with two equivalent O(2)Li2CrGa tetrahedra, corners with two equivalent O(8)Li2CrGa tetrahedra, corners with two equivalent O(3)Li2Ga2 tetrahedra, corners with two equivalent O(4)Li2Ga2 tetrahedra, and corners with two equivalent O(5)Li2Ga2 tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Cr(1), and one Ga(1) atom to form OLi2CrGa tetrahedra that share corners with two equivalent O(1)Li2CrGa tetrahedra, corners with two equivalent O(2)Li2CrGa tetrahedra, corners with two equivalent O(6)Li2CrGa tetrahedra, corners with two equivalent O(3)Li2Ga2 tetrahedra, corners with two equivalent O(4)Li2Ga2 tetrahedra, and corners with two equivalent O(7)Li2Ga2 tetrahedra.
Li4CrGa3O8 is Stannite-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, corners with two equivalent Ga(2)O4 tetrahedra, and corners with two equivalent Ga(3)O4 tetrahedra. The Li(1)-O(2) bond length is 2.02 Å. The Li(1)-O(4) bond length is 2.02 Å. The Li(1)-O(7) bond length is 2.03 Å. The Li(1)-O(8) bond length is 2.02 Å. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, corners with two equivalent Ga(2)O4 tetrahedra, and corners with two equivalent Ga(3)O4 tetrahedra. The Li(2)-O(1) bond length is 1.95 Å. The Li(2)-O(3) bond length is 2.00 Å. The Li(2)-O(5) bond length is 2.00 Å. The Li(2)-O(6) bond length is 2.05 Å. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, corners with two equivalent Ga(2)O4 tetrahedra, and corners with two equivalent Ga(3)O4 tetrahedra. The Li(3)-O(3) bond length is 2.01 Å. The Li(3)-O(4) bond length is 2.02 Å. The Li(3)-O(6) bond length is 2.03 Å. The Li(3)-O(8) bond length is 2.08 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, corners with two equivalent Ga(2)O4 tetrahedra, and corners with two equivalent Ga(3)O4 tetrahedra. The Li(4)-O(1) bond length is 2.00 Å. The Li(4)-O(2) bond length is 2.00 Å. The Li(4)-O(5) bond length is 2.02 Å. The Li(4)-O(7) bond length is 2.01 Å. Cr(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form CrO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, and corners with two equivalent Ga(2)O4 tetrahedra. The Cr(1)-O(1) bond length is 1.94 Å. The Cr(1)-O(2) bond length is 1.91 Å. The Cr(1)-O(6) bond length is 1.93 Å. The Cr(1)-O(8) bond length is 1.93 Å. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form GaO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, and corners with two equivalent Ga(3)O4 tetrahedra. The Ga(1)-O(1) bond length is 1.88 Å. The Ga(1)-O(3) bond length is 1.87 Å. The Ga(1)-O(7) bond length is 1.88 Å. The Ga(1)-O(8) bond length is 1.88 Å. In the second Ga site, Ga(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form GaO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra, and corners with two equivalent Ga(3)O4 tetrahedra. The Ga(2)-O(2) bond length is 1.88 Å. The Ga(2)-O(4) bond length is 1.88 Å. The Ga(2)-O(5) bond length is 1.88 Å. The Ga(2)-O(6) bond length is 1.86 Å. In the third Ga site, Ga(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form GaO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ga(1)O4 tetrahedra, and corners with two equivalent Ga(2)O4 tetrahedra. The Ga(3)-O(3) bond length is 1.88 Å. The Ga(3)-O(4) bond length is 1.87 Å. The Ga(3)-O(5) bond length is 1.88 Å. The Ga(3)-O(7) bond length is 1.87 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Cr(1), and one Ga(1) atom to form OLi2CrGa tetrahedra that share corners with two equivalent O(2)Li2CrGa tetrahedra, corners with two equivalent O(6)Li2CrGa tetrahedra, corners with two equivalent O(8)Li2CrGa tetrahedra, corners with two equivalent O(3)Li2Ga2 tetrahedra, corners with two equivalent O(5)Li2Ga2 tetrahedra, and corners with two equivalent O(7)Li2Ga2 tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Cr(1), and one Ga(2) atom to form OLi2CrGa tetrahedra that share corners with two equivalent O(1)Li2CrGa tetrahedra, corners with two equivalent O(6)Li2CrGa tetrahedra, corners with two equivalent O(8)Li2CrGa tetrahedra, corners with two equivalent O(4)Li2Ga2 tetrahedra, corners with two equivalent O(5)Li2Ga2 tetrahedra, and corners with two equivalent O(7)Li2Ga2 tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Ga(1), and one Ga(3) atom to form OLi2Ga2 tetrahedra that share corners with two equivalent O(1)Li2CrGa tetrahedra, corners with two equivalent O(6)Li2CrGa tetrahedra, corners with two equivalent O(8)Li2CrGa tetrahedra, corners with two equivalent O(4)Li2Ga2 tetrahedra, corners with two equivalent O(5)Li2Ga2 tetrahedra, and corners with two equivalent O(7)Li2Ga2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Ga(2), and one Ga(3) atom to form OLi2Ga2 tetrahedra that share corners with two equivalent O(2)Li2CrGa tetrahedra, corners with two equivalent O(6)Li2CrGa tetrahedra, corners with two equivalent O(8)Li2CrGa tetrahedra, corners with two equivalent O(3)Li2Ga2 tetrahedra, corners with two equivalent O(5)Li2Ga2 tetrahedra, and corners with two equivalent O(7)Li2Ga2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Ga(2), and one Ga(3) atom to form OLi2Ga2 tetrahedra that share corners with two equivalent O(1)Li2CrGa tetrahedra, corners with two equivalent O(2)Li2CrGa tetrahedra, corners with two equivalent O(6)Li2CrGa tetrahedra, corners with two equivalent O(3)Li2Ga2 tetrahedra, corners with two equivalent O(4)Li2Ga2 tetrahedra, and corners with two equivalent O(7)Li2Ga2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Cr(1), and one Ga(2) atom to form OLi2CrGa tetrahedra that share corners with two equivalent O(1)Li2CrGa tetrahedra, corners with two equivalent O(2)Li2CrGa tetrahedra, corners with two equivalent O(8)Li2CrGa tetrahedra, corners with two equivalent O(3)Li2Ga2 tetrahedra, corners with two equivalent O(4)Li2Ga2 tetrahedra, and corners with two equivalent O(5)Li2Ga2 tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Ga(1), and one Ga(3) atom to form OLi2Ga2 tetrahedra that share corners with two equivalent O(1)Li2CrGa tetrahedra, corners with two equivalent O(2)Li2CrGa tetrahedra, corners with two equivalent O(8)Li2CrGa tetrahedra, corners with two equivalent O(3)Li2Ga2 tetrahedra, corners with two equivalent O(4)Li2Ga2 tetrahedra, and corners with two equivalent O(5)Li2Ga2 tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Cr(1), and one Ga(1) atom to form OLi2CrGa tetrahedra that share corners with two equivalent O(1)Li2CrGa tetrahedra, corners with two equivalent O(2)Li2CrGa tetrahedra, corners with two equivalent O(6)Li2CrGa tetrahedra, corners with two equivalent O(3)Li2Ga2 tetrahedra, corners with two equivalent O(4)Li2Ga2 tetrahedra, and corners with two equivalent O(7)Li2Ga2 tetrahedra.