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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

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.
Authors:
; ; ; ;  [1]
  1. Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)
Publication Date:
OSTI Identifier:
22471929
Resource Type:
Journal Article
Resource Relation:
Journal Name: Crystallography Reports; Journal Volume: 61; Journal Issue: 1; Other Information: Copyright (c) 2016 Pleiades Publishing, Inc.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; COBALT OXIDES; COBALT SULFATES; CONCENTRATION RATIO; CRYSTAL GROWTH; CRYSTAL STRUCTURE; CRYSTALLIZATION; ELECTRON DENSITY; HYDRATES; INTERATOMIC DISTANCES; MONOCRYSTALS; NICKEL COMPOUNDS; NICKEL OXIDES; POTASSIUM COMPOUNDS; SYNTHESIS; X-RAY DIFFRACTION