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DOE OSTI · 1268369

Materials Data on CdH16C4(NCl2)2 by Materials Project

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Abstract

(C2H5NH3)2CdCl4 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight methane molecules; eight methylammonium molecules; and two CdCl4 sheets oriented in the (0, 0, 1) 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 23°. There are a spread of Cd–Cl bond distances ranging from 2.60–2.74 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cd2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Cd2+ atoms.

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36 MATERIALS SCIENCEC-Cd-Cl-H-NCdH16C4(NCl2)2crystal structure

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2020-05-30. Materials Data on CdH16C4(NCl2)2 by Materials Project. https://doi.org/10.17188/1268369

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DOE OSTI2026

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