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The vanadate garnet Ca 2 NaCd 2 V 3 O 12 : a single‐crystal X‐ray diffraction study
Author(s) -
Tokuda Makoto,
Yoshiasa Akira,
Mashimo Tsutomu,
Iishi Kazuake,
Nakatsuka Akihiko
Publication year - 2018
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229618003741
Subject(s) - dodecahedron , andradite , pyrope , ionic radius , vanadate , crystallography , almandine , single crystal , materials science , crystal (programming language) , grossular , tetrahedron , mineralogy , chemistry , inorganic chemistry , ion , metallurgy , quartz , organic chemistry , skarn , fluid inclusions , computer science , programming language
Single crystals of the vanadate garnet Ca 2 NaCd 2 V 3 O 12 (dicalcium sodium dicadmium trivanadate) were synthesized using the floating‐zone method and the crystal structure was investigated using single‐crystal X‐ray diffraction. We considered the effectiveness of substitution of the Y ‐site cation with reference to previous structural studies of vanadate garnets. The structures of vanadate garnets are subject to geometric constraints similar to those of silicate garnets. These constraints force the tetrahedral–dodecahedral shared edge length in vanadate garnets to become shorter than the unshared dodecahedral edge length, as in ugrandite (uvarovite, grossular and andradite) garnets. However, the vanadate garnet Ca 2 NaCd 2 V 3 O 12 exhibits the normal structural feature, similar to pyralspite (pyrope, almandine and spessartine) garnets, namely that the dodecahedral–dodecahedral shared edge length is shorter than the unshared dodecahedral edge length. With increasing ionic radius of the Y ‐site cation, the atomic coordinates x , y and z of oxygen adopt values which satisfy Pauling's third rule.