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Study of calcium-containing orthophosphates of NaZr{sub 2}(PO{sub 4}){sub 3} structural type by high-temperature X-ray diffraction

Journal Article · · Crystallography Reports
; ; ;  [1]
  1. Leipunsky Institute of Physics and Power Engineering (Russian Federation)
Orthophosphates Ca{sub 0.5}Ti{sub 2}(PO{sub 4}){sub 3}, Ca{sub 0.5}Zr{sub 2}(PO{sub 4}){sub 3}, Ca{sub 0.75}Zr{sub 2}(SiO{sub 4}){sub 0.5}(PO{sub 4}){sub 2.5}, and CaMg{sub 0.5}Zr{sub 1.5}(PO{sub 4}){sub 3} (structural type NaZr{sub 2}(PO{sub 4}){sub 3}), having different occupancies of interframework positions by calcium, have been prepared by the sol-gel method with the subsequent thermal treatment of dried gels and investigated by IR spectroscopy and X-ray diffraction. The analytical indexing of X-ray diffraction patterns is performed within the sp. gr. R3{sup -}. High-temperature X-ray diffraction was used to investigate the behavior of the orthophosphates upon heating: thermal expansion in the temperature range of 20-610 Degree-Sign C (up to 500 Degree-Sign C for Ca{sub 0.5}Zr{sub 2}(PO{sub 4}){sub 3}). The coefficients of thermal expansion are calculated from the shift of diffraction peaks. The unit-cell parameters of crystals at different temperatures are determined. The dependences of thermal expansion and its anisotropy on the occupancy of cation M positions by calcium are revealed.
OSTI ID:
22156334
Journal Information:
Crystallography Reports, Journal Name: Crystallography Reports Journal Issue: 2 Vol. 58; ISSN CYSTE3; ISSN 1063-7745
Country of Publication:
United States
Language:
English