Synthesis and Crystal Structure of LiLaP4O12

The crystal structure of lanthanum-lithium polyphosphate LiLaP4O12 has been determined by single-crystal X-ray diffraction data. This phosphate crystallizes in a monoclinic system with the C2/c space group. At 298 K, the unit-cell dimensions are a = 16.355(5)Å, b = 7.040(5)Å, c = 9.678(5)Å, β = 126.137(5)°, V = 899.932(5)Å3, Dx = 3.408 g/cm3, and Z = 4. The crystal structure was solved from 2102 X-ray independent reflections with final R = 0.0377 and Rw = 0.0347 refined with 83 parameters. With regard to the atomic arrangement, it can be described as a long-chain polyphosphate organization. Besides, two infinite (PO3)∝ chains with a period of eight tetrahedral run along the [110] direction. As for the structure of LiLaP4O12, it consists of LaO8 polyhedral sharing oxygen atoms with a phosphoric group, PO4. Each Li+ ion is bonded to six oxygen atoms.