Crystal structure of apatite type Ca(2.49)Nd(7.51)(SiO(4))(6)O(1.75)

The title compound, Ca(2+x)Nd(8–x)(SiO(4))(6)O(2–0.5x) (x = 0.49), was synthesized at 1873 K and rapidly quenched to room temperature. Its structure has been determined using single-crystal X-ray diffraction and compared with results reported using neutron and X-ray powder diffraction from samples p...

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Detalles Bibliográficos
Autores principales: Le, Thu Hoai, Brooks, Neil R., Binnemans, Koen, Blanpain, Bart, Guo, Muxing, Van Meervelt, Luc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770985/
https://www.ncbi.nlm.nih.gov/pubmed/26958389
http://dx.doi.org/10.1107/S205698901600089X
Descripción
Sumario:The title compound, Ca(2+x)Nd(8–x)(SiO(4))(6)O(2–0.5x) (x = 0.49), was synthesized at 1873 K and rapidly quenched to room temperature. Its structure has been determined using single-crystal X-ray diffraction and compared with results reported using neutron and X-ray powder diffraction from samples prepared by slow cooling. The single-crystal structure from room temperature data was found to belong to the space group P6(3)/m and has the composition Ca(2.49)Nd(7.51)(SiO(4))(6)O(1.75) [dicalcium octa­neodymium hexa­kis­(ortho­silicate) dioxide], being isotypic with natural apatite and the previously reported Ca(2)Nd(8)(SiO(4))(6)O(2) and Ca(2.2)Nd(7.8)(SiO(4))(6)O(1.9). The solubility limit of calcium in the equilibrium state at 1873 K was found to occur at a composition of Ca(2+x)Nd(8–x)(SiO(4))(6)O(2–0.5x), where x = 0.49.

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