BeI2 crystallizes in the monoclinic C2/c space group. The structure consists of a BeI2 framework. There are four inequivalent Be sites. In the first Be site, Be(1) is bonded to one I(1), one I(3), one I(5), and one I(7) atom to form corner-sharing BeI4 tetrahedra. In the second Be site, Be(2) is bonded to one I(1), one I(2), one I(6), and one I(8) atom to form corner-sharing BeI4 tetrahedra. In the third Be site, Be(3) is bonded to one I(3), one I(4), one I(6), and one I(7) atom to form corner-sharing BeI4 tetrahedra. In the fourth Be site, Be(4) is bonded to one I(2), one I(4), one I(5), and one I(8) atom to form corner-sharing BeI4 tetrahedra. There are eight inequivalent I sites. In the first I site, I(1) is bonded in a water-like geometry to one Be(1) and one Be(2) atom. In the second I site, I(3) is bonded in a water-like geometry to one Be(1) and one Be(3) atom. In the third I site, I(2) is bonded in a water-like geometry to one Be(2) and one Be(4) atom. In the fourth I site, I(4) is bonded in a water-like geometry to one Be(3) and one Be(4) atom. In the fifth I site, I(5) is bonded in a water-like geometry to one Be(1) and one Be(4) atom. In the sixth I site, I(6) is bonded in a water-like geometry to one Be(2) and one Be(3) atom. In the seventh I site, I(7) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(3) atom. In the eighth I site, I(8) is bonded in a bent 120 degrees geometry to one Be(2) and one Be(4) atom.
BeI2 crystallizes in the monoclinic C2/c space group. The structure consists of a BeI2 framework. There are four inequivalent Be sites. In the first Be site, Be(1) is bonded to one I(1), one I(3), one I(5), and one I(7) atom to form corner-sharing BeI4 tetrahedra. The Be(1)-I(1) bond length is 2.41 Å. The Be(1)-I(3) bond length is 2.43 Å. The Be(1)-I(5) bond length is 2.42 Å. The Be(1)-I(7) bond length is 2.44 Å. In the second Be site, Be(2) is bonded to one I(1), one I(2), one I(6), and one I(8) atom to form corner-sharing BeI4 tetrahedra. The Be(2)-I(1) bond length is 2.44 Å. The Be(2)-I(2) bond length is 2.41 Å. The Be(2)-I(6) bond length is 2.43 Å. The Be(2)-I(8) bond length is 2.44 Å. In the third Be site, Be(3) is bonded to one I(3), one I(4), one I(6), and one I(7) atom to form corner-sharing BeI4 tetrahedra. The Be(3)-I(3) bond length is 2.41 Å. The Be(3)-I(4) bond length is 2.43 Å. The Be(3)-I(6) bond length is 2.42 Å. The Be(3)-I(7) bond length is 2.44 Å. In the fourth Be site, Be(4) is bonded to one I(2), one I(4), one I(5), and one I(8) atom to form corner-sharing BeI4 tetrahedra. The Be(4)-I(2) bond length is 2.43 Å. The Be(4)-I(4) bond length is 2.41 Å. The Be(4)-I(5) bond length is 2.43 Å. The Be(4)-I(8) bond length is 2.44 Å. There are eight inequivalent I sites. In the first I site, I(1) is bonded in a water-like geometry to one Be(1) and one Be(2) atom. In the second I site, I(3) is bonded in a water-like geometry to one Be(1) and one Be(3) atom. In the third I site, I(2) is bonded in a water-like geometry to one Be(2) and one Be(4) atom. In the fourth I site, I(4) is bonded in a water-like geometry to one Be(3) and one Be(4) atom. In the fifth I site, I(5) is bonded in a water-like geometry to one Be(1) and one Be(4) atom. In the sixth I site, I(6) is bonded in a water-like geometry to one Be(2) and one Be(3) atom. In the seventh I site, I(7) is bonded in a bent 120 degrees geometry to one Be(1) and one Be(3) atom. In the eighth I site, I(8) is bonded in a bent 120 degrees geometry to one Be(2) and one Be(4) atom.