Abstract
High-temperature coherent neutron powder diffraction experiments were carried out on Li2B4O7 with boron isotope ratio 11B : 10B as high as 99.6 : 0.4%. Neither traces of phase transformations nor discontinuous changes of physical properties were observed. Anomalies in the thermal expansion of lithium tetraborate were considered in terms of first-order Grüneisen approximation. Extended bond length analysis revealed significant modifications of the boron–oxygen framework which is supplemented by dynamic lithium disorder. Impedance spectroscopy studies revealed a complicated conduction mechanism in single crystalline lithium tetraborate. The lithium diffusion pathway for bulk conductivity along the polar axis was established using both maximum entropy and anharmonic refinement techniques.
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