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Synchrotron study of the garnet-type oxide Li(6)CaSm(2)Ta(2)O(12)

Hexalithium calcium disamarium(III) ditantalum(V) dodeca­oxide, Li(6)CaSm(2)Ta(2)O(12), crystallizes in a cubic garnet-type structure. In the crystal structure, disordered Li atoms occupy two crystallographic sites. One Li has a tetra­hedral coordination environment in the oxide lattice, whereas the...

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Detalles Bibliográficos
Autores principales: Yoo, Chung-Yul, Kim, Sung-Chul, Lee, Seung-Soo, Kim, Seung-Joo
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971154/
https://www.ncbi.nlm.nih.gov/pubmed/21578033
http://dx.doi.org/10.1107/S1600536809040008
Descripción
Sumario:Hexalithium calcium disamarium(III) ditantalum(V) dodeca­oxide, Li(6)CaSm(2)Ta(2)O(12), crystallizes in a cubic garnet-type structure. In the crystal structure, disordered Li atoms occupy two crystallographic sites. One Li has a tetra­hedral coordination environment in the oxide lattice, whereas the other Li atom occupies a significantly distorted octa­hedral site, with site occupancies for the two Li atoms of 0.26 (7) and 0.44 (2), respectively. Ca and Sm atoms are statistically distributed over the same crystallographic position with a occupancy of 2/3 for Sm and of 1/3 for Ca, and are eightfold coordinated by O atoms. The TaO(6) octa­hedron is joined to six others via corner-sharing LiO(4) tetra­hedra. One Li and the O atoms lie on general positions, while the other atoms are situated on special positions. The Sm/Ca position has 222, Ta has [Image: see text], and the tetra­hedrally coordinated Li atom has [Image: see text] site symmetry.