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High-resolution neutron powder diffraction was used to study phase transitions in the leucite phases of KAlSi 2 O 6 , RbAlSi 2 O 6 , CsAlSi 2 O 6 , and KFeSi 2 O 6 . The temperature-depen­dent structural behavior involves two mechanisms: relaxation of the tetrahedral framework about channel cations, and slowly changing T-O bond lengths. The high-temperature cubic phase is characterized by a fully-extended tetrahedral framework; thermal expansion occurs by an increase in mean T-O bond lengths. On decreasing temperature, a displacive phase transition to tetragonal symmetry is manifested by an optic instability; twisting of tetrag­onal prisms of comer-linked (Al,Si)O 4  tetrahedra about [001] leads to collapse of the 〈111〉 structural channels and concomitant volume reduction.

Structural behavior, crystal chemistry, and phase transitions in substituted leucite: High-resolution neutron powder diffraction studies