Growth and structure of K2NixCo(1–x)(SO4)2 · 6H2O single crystals


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Resumo

Single crystals of the K2NixCo(1–x)(SO4)2 · 6H2O composition are grown by spontaneous flux crystallization. More exact chemical formulas of the single crystals are determined based on the diffraction data as K2Co(SO4)2 · 6H2O (I), K2(Co0.657Ni0.343)(SO4)2 · 6H2O (II), K2(Co0.226Ni0.774)(SO4)2 · 6H2O (III), K2(Co0.216Ni0.784)(SO4)2 · 6H2O (IV), and K2Ni(SO4)2 · 6H2O (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)O6 octahedra decreases. NiO6 polyhedra are less distorted than CoO6 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 K2Co(SO4)2 · 6H2O, is larger with respect to those of structure K2Ni(SO4)2 · 6H2O.

Sobre autores

N. Vasilyeva

Shubnikov Institute of Crystallography

Autor responsável pela correspondência
Email: Natalie5590@mail.ru
Rússia, Leninskii pr. 59, Moscow, 119333

N. Sorokina

Shubnikov Institute of Crystallography

Email: Natalie5590@mail.ru
Rússia, Leninskii pr. 59, Moscow, 119333

A. Antipin

Shubnikov Institute of Crystallography

Email: Natalie5590@mail.ru
Rússia, Leninskii pr. 59, Moscow, 119333

I. Verin

Shubnikov Institute of Crystallography

Email: Natalie5590@mail.ru
Rússia, Leninskii pr. 59, Moscow, 119333

A. Voloshin

Shubnikov Institute of Crystallography

Email: Natalie5590@mail.ru
Rússia, Leninskii pr. 59, Moscow, 119333

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