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... Several approximations of the dependence of the Mulliken atomic charges and dipole moments of the crystallographically independent oxygen atoms calculated with the STO-3G, ps-21G , and 6-21G basis sets are obtained with respect to three oxygen parameters (i.e. average value and difference between the Al­O and P­O bond distances, and Al­O­P angle). ... The absolute values of the dipole moments calculated with the ps-21G and 6-21G basis sets decrease almost linearly with angle (Fig. 4 and Table 5). ...

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