BaGa2GeSe6 crystallizes in the triclinic P1 space group. Ba(1) is bonded to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), two equivalent Se(5), and two equivalent Se(6) atoms to form BaSe12 cuboctahedra that share corners with two equivalent Ga(1)Se4 tetrahedra, corners with two equivalent Ga(2)Se4 tetrahedra, corners with two equivalent Ge(1)Se4 tetrahedra, edges with six equivalent Ba(1)Se12 cuboctahedra, edges with three equivalent Ga(1)Se4 tetrahedra, edges with three equivalent Ga(2)Se4 tetrahedra, and edges with three equivalent Ge(1)Se4 tetrahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Se(2), one Se(3), one Se(4), and one Se(5) atom to form GaSe4 tetrahedra that share corners with two equivalent Ba(1)Se12 cuboctahedra, corners with two equivalent Ga(2)Se4 tetrahedra, corners with two equivalent Ge(1)Se4 tetrahedra, and edges with three equivalent Ba(1)Se12 cuboctahedra. In the second Ga site, Ga(2) is bonded to one Se(1), one Se(3), one Se(5), and one Se(6) atom to form GaSe4 tetrahedra that share corners with two equivalent Ba(1)Se12 cuboctahedra, corners with two equivalent Ga(1)Se4 tetrahedra, corners with two equivalent Ge(1)Se4 tetrahedra, and edges with three equivalent Ba(1)Se12 cuboctahedra. Ge(1) is bonded to one Se(1), one Se(2), one Se(4), and one Se(6) atom to form GeSe4 tetrahedra that share corners with two equivalent Ba(1)Se12 cuboctahedra, corners with two equivalent Ga(1)Se4 tetrahedra, corners with two equivalent Ga(2)Se4 tetrahedra, and edges with three equivalent Ba(1)Se12 cuboctahedra. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ga(2), and one Ge(1) atom. In the second Se site, Se(2) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ga(1), and one Ge(1) atom. In the third Se site, Se(3) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ga(1), and one Ga(2) atom. In the fourth Se site, Se(4) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ga(1), and one Ge(1) atom. In the fifth Se site, Se(5) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ga(1), and one Ga(2) atom. In the sixth Se site, Se(6) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ga(2), and one Ge(1) atom.
BaGa2GeSe6 crystallizes in the triclinic P1 space group. Ba(1) is bonded to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), two equivalent Se(4), two equivalent Se(5), and two equivalent Se(6) atoms to form BaSe12 cuboctahedra that share corners with two equivalent Ga(1)Se4 tetrahedra, corners with two equivalent Ga(2)Se4 tetrahedra, corners with two equivalent Ge(1)Se4 tetrahedra, edges with six equivalent Ba(1)Se12 cuboctahedra, edges with three equivalent Ga(1)Se4 tetrahedra, edges with three equivalent Ga(2)Se4 tetrahedra, and edges with three equivalent Ge(1)Se4 tetrahedra. There is one shorter (3.69 Å) and one longer (3.84 Å) Ba(1)-Se(1) bond length. There is one shorter (3.68 Å) and one longer (3.90 Å) Ba(1)-Se(2) bond length. There is one shorter (3.67 Å) and one longer (3.85 Å) Ba(1)-Se(3) bond length. There is one shorter (3.60 Å) and one longer (3.91 Å) Ba(1)-Se(4) bond length. There is one shorter (3.62 Å) and one longer (3.86 Å) Ba(1)-Se(5) bond length. There is one shorter (3.62 Å) and one longer (3.84 Å) Ba(1)-Se(6) bond length. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Se(2), one Se(3), one Se(4), and one Se(5) atom to form GaSe4 tetrahedra that share corners with two equivalent Ba(1)Se12 cuboctahedra, corners with two equivalent Ga(2)Se4 tetrahedra, corners with two equivalent Ge(1)Se4 tetrahedra, and edges with three equivalent Ba(1)Se12 cuboctahedra. The Ga(1)-Se(2) bond length is 2.47 Å. The Ga(1)-Se(3) bond length is 2.41 Å. The Ga(1)-Se(4) bond length is 2.45 Å. The Ga(1)-Se(5) bond length is 2.42 Å. In the second Ga site, Ga(2) is bonded to one Se(1), one Se(3), one Se(5), and one Se(6) atom to form GaSe4 tetrahedra that share corners with two equivalent Ba(1)Se12 cuboctahedra, corners with two equivalent Ga(1)Se4 tetrahedra, corners with two equivalent Ge(1)Se4 tetrahedra, and edges with three equivalent Ba(1)Se12 cuboctahedra. The Ga(2)-Se(1) bond length is 2.47 Å. The Ga(2)-Se(3) bond length is 2.42 Å. The Ga(2)-Se(5) bond length is 2.40 Å. The Ga(2)-Se(6) bond length is 2.46 Å. Ge(1) is bonded to one Se(1), one Se(2), one Se(4), and one Se(6) atom to form GeSe4 tetrahedra that share corners with two equivalent Ba(1)Se12 cuboctahedra, corners with two equivalent Ga(1)Se4 tetrahedra, corners with two equivalent Ga(2)Se4 tetrahedra, and edges with three equivalent Ba(1)Se12 cuboctahedra. The Ge(1)-Se(1) bond length is 2.40 Å. The Ge(1)-Se(2) bond length is 2.40 Å. The Ge(1)-Se(4) bond length is 2.40 Å. The Ge(1)-Se(6) bond length is 2.39 Å. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ga(2), and one Ge(1) atom. In the second Se site, Se(2) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ga(1), and one Ge(1) atom. In the third Se site, Se(3) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ga(1), and one Ga(2) atom. In the fourth Se site, Se(4) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ga(1), and one Ge(1) atom. In the fifth Se site, Se(5) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ga(1), and one Ga(2) atom. In the sixth Se site, Se(6) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Ga(2), and one Ge(1) atom.