Materials Data on Cd2ClO3 by Materials Project

Cd2O3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cd sites. In the first Cd site, Cd is bonded to five O and one Cl atom to form distorted edge-sharing CdClO5 octahedra. There are a spread of Cd–O bond distances ranging from 2.26–2.30 Å. The Cd–Cl bond length is 2.60 Å. In the second Cd site, Cd is bonded to four O and two equivalent Cl atoms to form distorted edge-sharing CdCl2O4 octahedra. There are two shorter (2.20 Å) and two longer (2.21 Å) Cd–O bond lengths. Both Cd–Cl bond lengths are 2.86 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three Cd atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Cd atoms. Cl is bonded in a 3-coordinate geometry to three Cd atoms.

Cd₂O₃Cl结晶于正交晶系Pnma空间群，其结构为三维结构。存在两个不等价的镉（Cd）位点：在第一个镉位点中，镉原子与5个氧原子和1个氯原子成键，形成畸变共棱CdClO₅八面体；镉-氧键长分布范围为2.26~2.30 Å，镉-氯键长为2.60 Å。在第二个镉位点中，镉原子与4个氧原子和2个等价的氯原子成键，形成畸变共棱CdCl₂O₄八面体；该位点的镉-氧键存在两组键长，分别为2.20 Å（较短）与2.21 Å（较长）各两条，镉-氯键长均为2.86 Å。存在两个不等价的氧（O）位点：在第一个氧位点中，氧原子以三角非共面配位几何与3个镉原子成键；在第二个氧位点中，氧原子同样以三角非共面配位几何与3个镉原子成键。氯原子以三配位几何与3个镉原子成键。