Materials Data on Al4CdO7 by Materials Project

Abstract

CdAl4O7 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cd2+ is bonded to five O2- atoms to form CdO5 trigonal bipyramids that share corners with ten AlO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.29–2.38 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with five AlO4 tetrahedra and corners with three equivalent CdO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.76–1.82 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with six AlO4 tetrahedra and corners with two equivalent CdO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.75–1.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two equivalent Al3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cd2+ and two Al3+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three Al3+ atoms.