Li2HPO3, H2O: Crystal Structure and IR Spectrum

AbstractCrystal structure of Li 2 HPO 3 ,H 2 O was determined by single-crystal X-Ray diffraction analysis at 173(2) K. It crystallizes in the monoclinic system (P2 1/c ) with the parameters: a = 5.0322(9) A, b = 8.9795(17) A, c = 17.088(4) A, β = 92.672(16)° and Z = 8. The structure was refined to R = 0.0237 and ωR = 0.0650 for 1449 reflexions. The framework of Li 2 HPO 3 , H 2 O can be described as layers perpendicular to the crystallographic c axis. The structure contains two types of Li-tetrahedrons. In one kind each O atom belongs to one HPO 3 group, while in the second kind one apex is an O from water. A network of hydrogen bonds interactions insures the connection between the layers.Graphical AbstractCorner and/or edges sharing [LiO 3 (OH 2 )], [LiO 4 ] and [HPO 3 ] tetrehedral form slabs, parallel to (001) plane. The slabs are linked via H-bond interactions through coordinating and free water molecules.[IMAGE]