Ba(LuSe2)2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one Se(3), two equivalent Se(1), and three equivalent Se(4) atoms to form a mixture of corner and edge-sharing LuSe6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the second Lu site, Lu(2) is bonded to one Se(1), two equivalent Se(3), and three equivalent Se(2) atoms to form a mixture of corner and edge-sharing LuSe6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Lu(2), and two equivalent Lu(1) atoms. In the second Se site, Se(2) is bonded to two equivalent Ba(1) and three equivalent Lu(2) atoms to form a mixture of corner and edge-sharing SeBa2Lu3 square pyramids. In the third Se site, Se(3) is bonded to two equivalent Ba(1), one Lu(1), and two equivalent Lu(2) atoms to form a mixture of distorted corner and edge-sharing SeBa2Lu3 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to two equivalent Ba(1) and three equivalent Lu(1) atoms to form a mixture of distorted corner and edge-sharing SeBa2Lu3 trigonal bipyramids.
Ba(LuSe2)2 crystallizes in the orthorhombic Pnma space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. Both Ba(1)-Se(1) bond lengths are 3.39 Å. Both Ba(1)-Se(2) bond lengths are 3.30 Å. There is one shorter (3.45 Å) and one longer (3.46 Å) Ba(1)-Se(3) bond length. Both Ba(1)-Se(4) bond lengths are 3.32 Å. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one Se(3), two equivalent Se(1), and three equivalent Se(4) atoms to form a mixture of corner and edge-sharing LuSe6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. The Lu(1)-Se(3) bond length is 2.83 Å. Both Lu(1)-Se(1) bond lengths are 2.84 Å. There is one shorter (2.76 Å) and two longer (2.81 Å) Lu(1)-Se(4) bond lengths. In the second Lu site, Lu(2) is bonded to one Se(1), two equivalent Se(3), and three equivalent Se(2) atoms to form a mixture of corner and edge-sharing LuSe6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. The Lu(2)-Se(1) bond length is 2.86 Å. Both Lu(2)-Se(3) bond lengths are 2.79 Å. There is one shorter (2.80 Å) and two longer (2.82 Å) Lu(2)-Se(2) bond lengths. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Lu(2), and two equivalent Lu(1) atoms. In the second Se site, Se(2) is bonded to two equivalent Ba(1) and three equivalent Lu(2) atoms to form a mixture of corner and edge-sharing SeBa2Lu3 square pyramids. In the third Se site, Se(3) is bonded to two equivalent Ba(1), one Lu(1), and two equivalent Lu(2) atoms to form a mixture of distorted corner and edge-sharing SeBa2Lu3 trigonal bipyramids. In the fourth Se site, Se(4) is bonded to two equivalent Ba(1) and three equivalent Lu(1) atoms to form a mixture of distorted corner and edge-sharing SeBa2Lu3 trigonal bipyramids.