Research Article

Estimating Free Energies of Formation of Titanate ( M 𝟐 T i 𝟐 O 𝟕 ) and Zirconate ( M 𝟐 Z r 𝟐 O 𝟕 ) Pyrochlore Phases of Trivalent Lanthanides and Actinides

Figure 1

A relationship for coefficient 𝑎 M v X and the ratio between charge and coordination number (CN) of the oxyanions oxide, hydroxide, sulfate, carbonate, perovskite and titanate and zirconate pyrochlore structural families. The charge/CN ratios for oxyanions in sulfate, carbonate, oxide, hydroxide, perovskite and titanate and zirconate pyrochlore families are 6/4, 4/3, 4/3, 1/1, 4/3 and 4/6, respectively.
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