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Materials Data on CdI2 by Materials Project

CdI2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of twenty-five CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on CdI2 by Materials Project

CdI2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of twenty-two CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on CdI2 by Materials Project

CdI2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of fourteen CdI2 sheets oriented in the (0, 0, 1) direction. Cd2+ is bonded to six equivalent I1- atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. I1- is bonded in a distorted T-shaped geometry to three equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Cd13I28 by Materials Project

(CdI2)13(I)2 is trigonal omega-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of thirteen CdI2 sheets oriented in the (0, 0, 1) direction and one I sheet oriented in the (0, 0, 1) direction. In each CdI2 sheet, Cd is bonded to six I atoms to form edge-sharing CdI6 octahedra. All Cd–I bond lengths are 3.04 Å. There are two inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three equivalent Cd atoms. In the second I site, I is bonded in a distorted T-shaped geometry to three equivalent Cd atoms. In the I sheet, I is bonded in a 3-coordinate geometry to three equivalent I atoms. All I–I bond lengths are 3.47 Å.

36 MATERIALS SCIENCE↗

Materials Data on CdI3N2 by Materials Project

CdI2IN2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is one-dimensional and consists of four IN2 clusters and two CdI2 ribbons oriented in the (0, 1, 0) direction. In each IN2 cluster, N+0.50+ is bonded in a single-bond geometry to one I1- atom. The N–I bond length is 1.90 Å. I1- is bonded in a water-like geometry to two equivalent N+0.50+ atoms. In each CdI2 ribbon, there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a distorted trigonal planar geometry to three I1- atoms. There are one shorter (2.72 Å) and two longer (2.74 Å) Cd–I bond lengths. In the second Cd2+ site, Cd2+ is bonded in a 3-coordinate geometry to three I1- atoms. There are one shorter (2.76 Å) and two longer (3.16 Å) Cd–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one Cd2+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Cd2+ atom. In the third I1- site, I1- is bonded in a distorted water-like geometry to two Cd2+ atoms.

36 MATERIALS SCIENCE↗