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DOE OSTI · 1285346

Materials Data on CdH12C2(NCl2)2 by Materials Project

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Abstract

(CH3NH3)2CdCl4 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of eight methylammonium molecules and two CdCl4 sheets oriented in the (0, 1, 0) direction. In each CdCl4 sheet, Cd2+ is bonded to six Cl1- atoms to form corner-sharing CdCl6 octahedra. The corner-sharing octahedral tilt angles are 16°. There are two shorter (2.58 Å) and four longer (2.69 Å) Cd–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cd2+ atom. In the second Cl1- site, Cl1- is bonded in a linear geometry to two equivalent Cd2+ atoms.

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36 MATERIALS SCIENCEC-Cd-Cl-H-NCdH12C2(NCl2)2crystal structure

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2020-05-02. Materials Data on CdH12C2(NCl2)2 by Materials Project. https://doi.org/10.17188/1285346

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