“…They explore the influence of M = Mg 2+ , Zn 2+ and In 3+ , using bond graphs like those shown in Figure to help assign the bond valences. In later papers , they develop a more sophisticated model with oxygen defects and some Nb 4+ occupying Li + sites. They explore the distribution of the impurity atoms by calculating the discrepancy factor (eq ) around each unrelaxed impurity atom when placed on either the Li or Nb site and assume that the site with the lowest discrepancy factor is the likely site for the impurity as described in more detail in section 8.3.…”