CeSe2 is Low Tridymite-like structured and crystallizes in the monoclinic P2/c space group. There are five inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form corner-sharing CeSe4 tetrahedra. In the second Ce site, Ce(2) is bonded to one Se(1), one Se(5), one Se(6), and one Se(7) atom to form corner-sharing CeSe4 tetrahedra. In the third Ce site, Ce(3) is bonded to one Se(4), one Se(7), one Se(8), and one Se(9) atom to form corner-sharing CeSe4 tetrahedra. In the fourth Ce site, Ce(4) is bonded to one Se(10), one Se(3), one Se(5), and one Se(6) atom to form corner-sharing CeSe4 tetrahedra. In the fifth Ce site, Ce(5) is bonded to two equivalent Se(10) and two equivalent Se(8) atoms to form corner-sharing CeSe4 tetrahedra. There are ten inequivalent Se sites. In the first Se site, Se(5) is bonded in a linear geometry to one Ce(2) and one Ce(4) atom. In the second Se site, Se(6) is bonded in a bent 150 degrees geometry to one Ce(2) and one Ce(4) atom. In the third Se site, Se(7) is bonded in a bent 150 degrees geometry to one Ce(2) and one Ce(3) atom. In the fourth Se site, Se(8) is bonded in a bent 150 degrees geometry to one Ce(3) and one Ce(5) atom. In the fifth Se site, Se(9) is bonded in a bent 150 degrees geometry to two equivalent Ce(3) atoms. In the sixth Se site, Se(1) is bonded in a linear geometry to one Ce(1) and one Ce(2) atom. In the seventh Se site, Se(10) is bonded in a bent 150 degrees geometry to one Ce(4) and one Ce(5) atom. In the eighth Se site, Se(2) is bonded in a linear geometry to two equivalent Ce(1) atoms. In the ninth Se site, Se(3) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(4) atom. In the tenth Se site, Se(4) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(3) atom.
CeSe2 is Low Tridymite-like structured and crystallizes in the monoclinic P2/c space group. There are five inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to one Se(1), one Se(2), one Se(3), and one Se(4) atom to form corner-sharing CeSe4 tetrahedra. The Ce(1)-Se(1) bond length is 2.70 Å. The Ce(1)-Se(2) bond length is 2.72 Å. The Ce(1)-Se(3) bond length is 2.70 Å. The Ce(1)-Se(4) bond length is 2.71 Å. In the second Ce site, Ce(2) is bonded to one Se(1), one Se(5), one Se(6), and one Se(7) atom to form corner-sharing CeSe4 tetrahedra. The Ce(2)-Se(1) bond length is 2.71 Å. The Ce(2)-Se(5) bond length is 2.70 Å. The Ce(2)-Se(6) bond length is 2.70 Å. The Ce(2)-Se(7) bond length is 2.71 Å. In the third Ce site, Ce(3) is bonded to one Se(4), one Se(7), one Se(8), and one Se(9) atom to form corner-sharing CeSe4 tetrahedra. The Ce(3)-Se(4) bond length is 2.72 Å. The Ce(3)-Se(7) bond length is 2.70 Å. The Ce(3)-Se(8) bond length is 2.71 Å. The Ce(3)-Se(9) bond length is 2.72 Å. In the fourth Ce site, Ce(4) is bonded to one Se(10), one Se(3), one Se(5), and one Se(6) atom to form corner-sharing CeSe4 tetrahedra. The Ce(4)-Se(10) bond length is 2.70 Å. The Ce(4)-Se(3) bond length is 2.72 Å. The Ce(4)-Se(5) bond length is 2.69 Å. The Ce(4)-Se(6) bond length is 2.71 Å. In the fifth Ce site, Ce(5) is bonded to two equivalent Se(10) and two equivalent Se(8) atoms to form corner-sharing CeSe4 tetrahedra. Both Ce(5)-Se(10) bond lengths are 2.71 Å. Both Ce(5)-Se(8) bond lengths are 2.71 Å. There are ten inequivalent Se sites. In the first Se site, Se(5) is bonded in a linear geometry to one Ce(2) and one Ce(4) atom. In the second Se site, Se(6) is bonded in a bent 150 degrees geometry to one Ce(2) and one Ce(4) atom. In the third Se site, Se(7) is bonded in a bent 150 degrees geometry to one Ce(2) and one Ce(3) atom. In the fourth Se site, Se(8) is bonded in a bent 150 degrees geometry to one Ce(3) and one Ce(5) atom. In the fifth Se site, Se(9) is bonded in a bent 150 degrees geometry to two equivalent Ce(3) atoms. In the sixth Se site, Se(1) is bonded in a linear geometry to one Ce(1) and one Ce(2) atom. In the seventh Se site, Se(10) is bonded in a bent 150 degrees geometry to one Ce(4) and one Ce(5) atom. In the eighth Se site, Se(2) is bonded in a linear geometry to two equivalent Ce(1) atoms. In the ninth Se site, Se(3) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(4) atom. In the tenth Se site, Se(4) is bonded in a bent 150 degrees geometry to one Ce(1) and one Ce(3) atom.