CrSe2 is trigonal omega-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one Se(1), one Se(2), one Se(3), one Se(5), one Se(7), and one Se(8) atom to form edge-sharing CrSe6 octahedra. In the second Cr site, Cr(2) is bonded to one Se(1), one Se(2), one Se(4), one Se(6), one Se(7), and one Se(8) atom to form edge-sharing CrSe6 octahedra. In the third Cr site, Cr(3) is bonded to one Se(2), one Se(3), one Se(4), one Se(5), one Se(6), and one Se(7) atom to form edge-sharing CrSe6 octahedra. In the fourth Cr site, Cr(4) is bonded to one Se(1), one Se(3), one Se(4), one Se(5), one Se(6), and one Se(8) atom to form edge-sharing CrSe6 octahedra. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(4) atom. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(3) atom. In the third Se site, Se(3) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(3), and one Cr(4) atom. In the fourth Se site, Se(4) is bonded in a distorted T-shaped geometry to one Cr(2), one Cr(3), and one Cr(4) atom. In the fifth Se site, Se(5) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(3), and one Cr(4) atom. In the sixth Se site, Se(6) is bonded in a distorted T-shaped geometry to one Cr(2), one Cr(3), and one Cr(4) atom. In the seventh Se site, Se(7) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(3) atom. In the eighth Se site, Se(8) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(4) atom.
CrSe2 is trigonal omega-like structured and crystallizes in the triclinic P1 space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one Se(1), one Se(2), one Se(3), one Se(5), one Se(7), and one Se(8) atom to form edge-sharing CrSe6 octahedra. The Cr(1)-Se(1) bond length is 2.50 Å. The Cr(1)-Se(2) bond length is 2.52 Å. The Cr(1)-Se(3) bond length is 2.52 Å. The Cr(1)-Se(5) bond length is 2.50 Å. The Cr(1)-Se(7) bond length is 2.50 Å. The Cr(1)-Se(8) bond length is 2.52 Å. In the second Cr site, Cr(2) is bonded to one Se(1), one Se(2), one Se(4), one Se(6), one Se(7), and one Se(8) atom to form edge-sharing CrSe6 octahedra. The Cr(2)-Se(1) bond length is 2.49 Å. The Cr(2)-Se(2) bond length is 2.51 Å. The Cr(2)-Se(4) bond length is 2.51 Å. The Cr(2)-Se(6) bond length is 2.50 Å. The Cr(2)-Se(7) bond length is 2.49 Å. The Cr(2)-Se(8) bond length is 2.51 Å. In the third Cr site, Cr(3) is bonded to one Se(2), one Se(3), one Se(4), one Se(5), one Se(6), and one Se(7) atom to form edge-sharing CrSe6 octahedra. The Cr(3)-Se(2) bond length is 2.51 Å. The Cr(3)-Se(3) bond length is 2.51 Å. The Cr(3)-Se(4) bond length is 2.52 Å. The Cr(3)-Se(5) bond length is 2.50 Å. The Cr(3)-Se(6) bond length is 2.50 Å. The Cr(3)-Se(7) bond length is 2.50 Å. In the fourth Cr site, Cr(4) is bonded to one Se(1), one Se(3), one Se(4), one Se(5), one Se(6), and one Se(8) atom to form edge-sharing CrSe6 octahedra. The Cr(4)-Se(1) bond length is 2.50 Å. The Cr(4)-Se(3) bond length is 2.51 Å. The Cr(4)-Se(4) bond length is 2.52 Å. The Cr(4)-Se(5) bond length is 2.50 Å. The Cr(4)-Se(6) bond length is 2.50 Å. The Cr(4)-Se(8) bond length is 2.51 Å. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(4) atom. In the second Se site, Se(2) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(3) atom. In the third Se site, Se(3) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(3), and one Cr(4) atom. In the fourth Se site, Se(4) is bonded in a distorted T-shaped geometry to one Cr(2), one Cr(3), and one Cr(4) atom. In the fifth Se site, Se(5) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(3), and one Cr(4) atom. In the sixth Se site, Se(6) is bonded in a distorted T-shaped geometry to one Cr(2), one Cr(3), and one Cr(4) atom. In the seventh Se site, Se(7) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(3) atom. In the eighth Se site, Se(8) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Cr(4) atom.