Materials Data on K2Cd2O3 by Materials Project

Abstract

K2Cd2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.31 Å. Cd2+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing CdO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.19–2.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent K1+ and two equivalent Cd2+ atoms to form corner-sharing OK4Cd2 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent K1+ and three equivalent Cd2+ atoms.