RbBa3Ga5(Se5Cl)2 crystallizes in the triclinic P1 space group. Rb(1) is bonded in a 9-coordinate geometry to one Se(1), one Se(10), one Se(3), one Se(4), one Se(5), one Se(6), one Se(7), one Cl(1), and one Cl(2) atom. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Se(10), one Se(2), one Se(3), one Se(4), one Se(5), one Se(6), one Se(8), one Se(9), one Cl(1), and one Cl(2) atom. In the second Ba site, Ba(2) is bonded in a 2-coordinate geometry to one Se(1), one Se(2), one Se(3), one Cl(1), and one Cl(2) atom. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one Se(1), one Se(10), one Se(2), one Se(4), one Se(5), one Se(7), one Se(8), one Se(9), one Cl(1), and one Cl(2) atom. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Se(5), one Se(6), one Se(7), and one Se(8) atom to form corner-sharing GaSe4 tetrahedra. In the second Ga site, Ga(2) is bonded to one Se(1), one Se(3), one Se(5), and one Se(9) atom to form corner-sharing GaSe4 tetrahedra. In the third Ga site, Ga(3) is bonded to one Se(2), one Se(4), one Se(6), and one Se(9) atom to form corner-sharing GaSe4 tetrahedra. In the fourth Ga site, Ga(4) is bonded to one Se(10), one Se(2), one Se(3), and one Se(7) atom to form corner-sharing GaSe4 tetrahedra. In the fifth Ga site, Ga(5) is bonded to one Se(1), one Se(10), one Se(4), and one Se(8) atom to form corner-sharing GaSe4 tetrahedra. There are ten inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to one Rb(1), one Ba(2), one Ba(3), one Ga(2), and one Ga(5) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ga(3), and one Ga(4) atom. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to one Rb(1), one Ba(1), one Ba(2), one Ga(2), and one Ga(4) atom. In the fourth Se site, Se(4) is bonded in a 5-coordinate geometry to one Rb(1), one Ba(1), one Ba(3), one Ga(3), and one Ga(5) atom. In the fifth Se site, Se(5) is bonded in a 5-coordinate geometry to one Rb(1), one Ba(1), one Ba(3), one Ga(1), and one Ga(2) atom. In the sixth Se site, Se(6) is bonded in a distorted water-like geometry to one Rb(1), one Ba(1), one Ga(1), and one Ga(3) atom. In the seventh Se site, Se(7) is bonded in a 2-coordinate geometry to one Rb(1), one Ba(3), one Ga(1), and one Ga(4) atom. In the eighth Se site, Se(8) is bonded in a distorted water-like geometry to one Ba(1), one Ba(3), one Ga(1), and one Ga(5) atom. In the ninth Se site, Se(9) is bonded in a distorted water-like geometry to one Ba(1), one Ba(3), one Ga(2), and one Ga(3) atom. In the tenth Se site, Se(10) is bonded in a distorted water-like geometry to one Rb(1), one Ba(1), one Ba(3), one Ga(4), and one Ga(5) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Rb(1), one Ba(1), one Ba(2), and one Ba(3) atom to form corner-sharing ClRbBa3 tetrahedra. In the second Cl site, Cl(2) is bonded to one Rb(1), one Ba(1), one Ba(2), and one Ba(3) atom to form corner-sharing ClRbBa3 tetrahedra.
RbBa3Ga5(Se5Cl)2 crystallizes in the triclinic P1 space group. Rb(1) is bonded in a 9-coordinate geometry to one Se(1), one Se(10), one Se(3), one Se(4), one Se(5), one Se(6), one Se(7), one Cl(1), and one Cl(2) atom. The Rb(1)-Se(1) bond length is 3.49 Å. The Rb(1)-Se(10) bond length is 3.80 Å. The Rb(1)-Se(3) bond length is 3.80 Å. The Rb(1)-Se(4) bond length is 3.80 Å. The Rb(1)-Se(5) bond length is 3.91 Å. The Rb(1)-Se(6) bond length is 3.60 Å. The Rb(1)-Se(7) bond length is 3.76 Å. The Rb(1)-Cl(1) bond length is 3.25 Å. The Rb(1)-Cl(2) bond length is 3.37 Å. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Se(10), one Se(2), one Se(3), one Se(4), one Se(5), one Se(6), one Se(8), one Se(9), one Cl(1), and one Cl(2) atom. The Ba(1)-Se(10) bond length is 3.81 Å. The Ba(1)-Se(2) bond length is 3.37 Å. The Ba(1)-Se(3) bond length is 3.73 Å. The Ba(1)-Se(4) bond length is 3.80 Å. The Ba(1)-Se(5) bond length is 3.52 Å. The Ba(1)-Se(6) bond length is 3.89 Å. The Ba(1)-Se(8) bond length is 3.69 Å. The Ba(1)-Se(9) bond length is 3.99 Å. The Ba(1)-Cl(1) bond length is 3.13 Å. The Ba(1)-Cl(2) bond length is 3.23 Å. In the second Ba site, Ba(2) is bonded in a 2-coordinate geometry to one Se(1), one Se(2), one Se(3), one Cl(1), and one Cl(2) atom. The Ba(2)-Se(1) bond length is 3.63 Å. The Ba(2)-Se(2) bond length is 3.81 Å. The Ba(2)-Se(3) bond length is 3.37 Å. The Ba(2)-Cl(1) bond length is 3.12 Å. The Ba(2)-Cl(2) bond length is 3.19 Å. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one Se(1), one Se(10), one Se(2), one Se(4), one Se(5), one Se(7), one Se(8), one Se(9), one Cl(1), and one Cl(2) atom. The Ba(3)-Se(1) bond length is 3.78 Å. The Ba(3)-Se(10) bond length is 4.01 Å. The Ba(3)-Se(2) bond length is 3.73 Å. The Ba(3)-Se(4) bond length is 3.33 Å. The Ba(3)-Se(5) bond length is 3.69 Å. The Ba(3)-Se(7) bond length is 3.47 Å. The Ba(3)-Se(8) bond length is 3.95 Å. The Ba(3)-Se(9) bond length is 3.79 Å. The Ba(3)-Cl(1) bond length is 3.14 Å. The Ba(3)-Cl(2) bond length is 3.18 Å. There are five inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one Se(5), one Se(6), one Se(7), and one Se(8) atom to form corner-sharing GaSe4 tetrahedra. The Ga(1)-Se(5) bond length is 2.45 Å. The Ga(1)-Se(6) bond length is 2.44 Å. The Ga(1)-Se(7) bond length is 2.42 Å. The Ga(1)-Se(8) bond length is 2.46 Å. In the second Ga site, Ga(2) is bonded to one Se(1), one Se(3), one Se(5), and one Se(9) atom to form corner-sharing GaSe4 tetrahedra. The Ga(2)-Se(1) bond length is 2.43 Å. The Ga(2)-Se(3) bond length is 2.46 Å. The Ga(2)-Se(5) bond length is 2.44 Å. The Ga(2)-Se(9) bond length is 2.42 Å. In the third Ga site, Ga(3) is bonded to one Se(2), one Se(4), one Se(6), and one Se(9) atom to form corner-sharing GaSe4 tetrahedra. The Ga(3)-Se(2) bond length is 2.47 Å. The Ga(3)-Se(4) bond length is 2.42 Å. The Ga(3)-Se(6) bond length is 2.41 Å. The Ga(3)-Se(9) bond length is 2.42 Å. In the fourth Ga site, Ga(4) is bonded to one Se(10), one Se(2), one Se(3), and one Se(7) atom to form corner-sharing GaSe4 tetrahedra. The Ga(4)-Se(10) bond length is 2.41 Å. The Ga(4)-Se(2) bond length is 2.44 Å. The Ga(4)-Se(3) bond length is 2.43 Å. The Ga(4)-Se(7) bond length is 2.44 Å. In the fifth Ga site, Ga(5) is bonded to one Se(1), one Se(10), one Se(4), and one Se(8) atom to form corner-sharing GaSe4 tetrahedra. The Ga(5)-Se(1) bond length is 2.42 Å. The Ga(5)-Se(10) bond length is 2.43 Å. The Ga(5)-Se(4) bond length is 2.45 Å. The Ga(5)-Se(8) bond length is 2.44 Å. There are ten inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to one Rb(1), one Ba(2), one Ba(3), one Ga(2), and one Ga(5) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ga(3), and one Ga(4) atom. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to one Rb(1), one Ba(1), one Ba(2), one Ga(2), and one Ga(4) atom. In the fourth Se site, Se(4) is bonded in a 5-coordinate geometry to one Rb(1), one Ba(1), one Ba(3), one Ga(3), and one Ga(5) atom. In the fifth Se site, Se(5) is bonded in a 5-coordinate geometry to one Rb(1), one Ba(1), one Ba(3), one Ga(1), and one Ga(2) atom. In the sixth Se site, Se(6) is bonded in a distorted water-like geometry to one Rb(1), one Ba(1), one Ga(1), and one Ga(3) atom. In the seventh Se site, Se(7) is bonded in a 2-coordinate geometry to one Rb(1), one Ba(3), one Ga(1), and one Ga(4) atom. In the eighth Se site, Se(8) is bonded in a distorted water-like geometry to one Ba(1), one Ba(3), one Ga(1), and one Ga(5) atom. In the ninth Se site, Se(9) is bonded in a distorted water-like geometry to one Ba(1), one Ba(3), one Ga(2), and one Ga(3) atom. In the tenth Se site, Se(10) is bonded in a distorted water-like geometry to one Rb(1), one Ba(1), one Ba(3), one Ga(4), and one Ga(5) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to one Rb(1), one Ba(1), one Ba(2), and one Ba(3) atom to form corner-sharing ClRbBa3 tetrahedra. In the second Cl site, Cl(2) is bonded to one Rb(1), one Ba(1), one Ba(2), and one Ba(3) atom to form corner-sharing ClRbBa3 tetrahedra.