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KNiB 4 O 6 F 3 : A Layered Fluorooxoborate with Charge‐Oriented Ordering
Author(s) -
Tao Ce,
Li Rukang
Publication year - 2020
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201905182
Subject(s) - charge (physics) , crystallography , charge ordering , tetrahedron , coulomb , materials science , chemistry , physics , quantum mechanics , electron
Abstract A layered fluorooxoborate, KNiB 4 O 6 F 3 , contains a new (B 4 O 6 F 4 ) 4− group built of one planar (BO 3 ) 3− triangle and three tetrahedral (BO 3 F) 4− units. Those units are joined together by sharing the oxygen atoms to form a 2‐dimensinal (BO 3/2 F) 3 BO 3/2 ) ∞ layer. K + and Ni 2+ occupy on the sides with F − and O 2− of the (BO 3/2 F) 3 BO 3/2 ) ∞ layer with a high (positive charge) to high (negative charge) and low to low coordination. Such kind of charge‐oriented ordering is found to be governed by the stabilization energy of Coulomb interaction of the cations in certain sites. It is hoped that this mechanism of ordering may provide an additional tool for designing new structures with favourable properties, such as ferroelectrics or nonlinear optical materials.