## A Method for the Calculation of Lattice Energies of Complex Crystals with Application to the Oxides of Molybdenum |

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angles apparent appendix applied assigned assumed atom position basis bond distances calculations cell cell dimensions charge coefficient compared complex computed concept considered coordinates coulombic energy covalent bond crystal crystal structure determined developed difference dioxide dipole direction discussed distorted effect electric field electron electrostatic element equation established exist experimentally expressed factor figures follows forces four give given interlayer involved ionic kcal/mole kind lattice energy layer limiting located measured metal method Mo4+ Mo6+ mole molecules molybdenum trioxide nature neighbors obtained octahedra octahedron origin oxides of molybdenum oxygen atoms pair parameter particular polarizability polarization energy position vectors possible potential energy present reference system relationship relatively represent repulsion energy selected shown single space Space group stabilization structure summation symmetry temperature tions unit valence values Van der Waals Waals energy zero