Materials Data on CdP2(HO)4 by Materials Project
CdP2(HO)4 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two CdP2(HO)4 sheets oriented in the (1, 0, 0) direction. Cd2+ is bonded to six O2- atoms to form distorted CdO6 octahedra that share corners with six equivalent PH2O2 tetrahedra and edges with two equivalent CdO6 octahedra. There are a spread of Cd–O bond distances ranging from 2.27–2.38 Å. P1+ is bonded to two H1+ and two O2- atoms to form distorted PH2O2 tetrahedra that share corners with three equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 36–56°. Both P–H bond lengths are 1.42 Å. There is one shorter (1.52 Å) and one longer (1.54 Å) P–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P1+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Cd2+ and one P1+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cd2+ and one P1+ atom.