RbInSe2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one Se(1), one Se(2), one Se(4), one Se(5), and two equivalent Se(3) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to one Se(1), one Se(2), one Se(4), one Se(5), and two equivalent Se(3) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Se(2), one Se(3), one Se(4), and one Se(5) atom to form corner-sharing InSe4 tetrahedra. In the second In site, In(2) is bonded to one Se(1), one Se(3), one Se(4), and one Se(5) atom to form corner-sharing InSe4 tetrahedra. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent In(2) atoms. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent In(1) atoms. In the third Se site, Se(3) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one In(1), and one In(2) atom. In the fourth Se site, Se(4) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(2), one In(1), and one In(2) atom. In the fifth Se site, Se(5) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(2), one In(1), and one In(2) atom.
RbInSe2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 6-coordinate geometry to one Se(1), one Se(2), one Se(4), one Se(5), and two equivalent Se(3) atoms. The Rb(1)-Se(1) bond length is 3.57 Å. The Rb(1)-Se(2) bond length is 3.57 Å. The Rb(1)-Se(4) bond length is 3.46 Å. The Rb(1)-Se(5) bond length is 3.45 Å. Both Rb(1)-Se(3) bond lengths are 3.57 Å. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to one Se(1), one Se(2), one Se(4), one Se(5), and two equivalent Se(3) atoms. The Rb(2)-Se(1) bond length is 3.64 Å. The Rb(2)-Se(2) bond length is 3.64 Å. The Rb(2)-Se(4) bond length is 3.52 Å. The Rb(2)-Se(5) bond length is 3.50 Å. Both Rb(2)-Se(3) bond lengths are 3.64 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to one Se(2), one Se(3), one Se(4), and one Se(5) atom to form corner-sharing InSe4 tetrahedra. The In(1)-Se(2) bond length is 2.59 Å. The In(1)-Se(3) bond length is 2.59 Å. The In(1)-Se(4) bond length is 2.60 Å. The In(1)-Se(5) bond length is 2.59 Å. In the second In site, In(2) is bonded to one Se(1), one Se(3), one Se(4), and one Se(5) atom to form corner-sharing InSe4 tetrahedra. The In(2)-Se(1) bond length is 2.59 Å. The In(2)-Se(3) bond length is 2.59 Å. The In(2)-Se(4) bond length is 2.60 Å. The In(2)-Se(5) bond length is 2.59 Å. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent In(2) atoms. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), and two equivalent In(1) atoms. In the third Se site, Se(3) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one In(1), and one In(2) atom. In the fourth Se site, Se(4) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(2), one In(1), and one In(2) atom. In the fifth Se site, Se(5) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Rb(2), one In(1), and one In(2) atom.