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Title: Growth and structure of K{sub 2}Ni{sub x}Co{sub (1–x)}(SO{sub 4}){sub 2} · 6H{sub 2}O single crystals

Journal Article · · Crystallography Reports
; ; ;  [1]
  1. Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

Single crystals of the K{sub 2}Ni{sub x}Co{sub (1–x)}(SO{sub 4}){sub 2} · 6H{sub 2}O composition are grown by spontaneous flux crystallization. More exact chemical formulas of the single crystals are determined based on the diffraction data as K{sub 2}Co(SO{sub 4}){sub 2} · 6H{sub 2}O (I), K{sub 2}(Co{sub 0.657}Ni{sub 0.343})(SO{sub 4}){sub 2} · 6H{sub 2}O (II), K{sub 2}(Co{sub 0.226}Ni{sub 0.774})(SO{sub 4}){sub 2} · 6H{sub 2}O (III), K{sub 2}(Co{sub 0.216}Ni{sub 0.784})(SO{sub 4}){sub 2} · 6H{sub 2}O (IV), and K{sub 2}Ni(SO{sub 4}){sub 2} · 6H{sub 2}O (V). The substitution of nickel atoms for cobalt atoms in structure I results in a shortening of all (Co,Ni)–O interatomic distances. With increasing Ni concentration, the (Co,Ni)–O2 distance shortens to a lesser degree than the (Co,Ni)–O1 and (Co,Ni)–O3 distances and, as a consequence, the distortion of (Co,Ni)O{sub 6} octahedra decreases. NiO{sub 6} polyhedra are less distorted than CoO{sub 6} octahedra. The analysis of difference syntheses of electron density shows that the number of uninterpretable peaks on the maps of mixed crystals II, III, and IV, as well as on the map of K{sub 2}Co(SO{sub 4}){sub 2} · 6H{sub 2}O, is larger with respect to those of structure K{sub 2}Ni(SO{sub 4}){sub 2} · 6H{sub 2}O.

OSTI ID:
22471929
Journal Information:
Crystallography Reports, Vol. 61, Issue 1; Other Information: Copyright (c) 2016 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA); ISSN 1063-7745
Country of Publication:
United States
Language:
English