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Size effect of the guest cation on the AlO 4 framework in aluminate sodalite‐type oxides M 8 [Al 12 O 24 ](SO 4 ) 2 ( M = Sr 2+ and Ca 2+ ) in the I 4 3 m phase
Author(s) -
Nakahira Yuki,
Kawamura Genta,
Wakamatsu Toru,
Terasaki Ichiro,
Taniguchi Hiroki,
Kuroiwa Yoshihiro,
Moriyoshi Chikako
Publication year - 2021
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520621000238
Subject(s) - sodalite , aluminate , ion , crystallography , chemistry , ionic radius , germanate , crystal structure , steric effects , type (biology) , materials science , stereochemistry , zeolite , biochemistry , organic chemistry , cement , metallurgy , catalysis , ecology , biology
Sr 8 [Al 12 O 24 ](SO 4 ) 2 (SAS) and Ca 8 [Al 12 O 24 ](SO 4 ) 2 (CAS) are members of the aluminate sodalite‐type oxides with the general chemical formula M 8 [Al 12 O 24 ]( X O 4 ) 2 ( M 2+ is the guest cation and X O 4 2− is the guest anion). To discuss the role of the guest cations ( M 2+ = Sr 2+ and Ca 2+ ) on the rotation of AlO 4 in the oxygen tetrahedral framework in the I 4 3 m phase, the crystal structure parameters and the probability density function of the guest ions in SAS and CAS have been investigated via synchrotron radiation X‐ray powder diffraction by considering Gram–Charlier expansions. The interatomic distances between the M 2+ and O 2− ions evaluated from the maximum positions in the probability density distribution are almost equal to the sum of the ideal ionic radii of the M 2+ and O 2− ions. This result suggests that the geometry of the AlO 4 tetrahedral framework and the fluctuation of the guest ions are mainly caused by steric effects between the M 2+ and O 2− ions.