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Bismuth Borates: Two New Polymorphs of BiB3O6
journal contribution
posted on 2005-11-14, 00:00 authored by Linyan Li, Guobao Li, Yingxia Wang, Fuhui Liao, Jianhua LinTwo new polymorphs of BiB3O6 were identified at low temperatures using boric acid as a flux. Unlike α-BiB3O6,
which crystallizes in a noncentrosymmetric space group and, thus, shows exceptional nonlinear optical (NLO)
properties, β-BiB3O6 (I) and γ-BiB3O6 (II) crystallize in the centrosymmetric space group P21/n with the following
lattice parameters: a = 14.1664(1), b = 6.7514(1), c = 4.4290(1) Å, β = 102.125(1)° for I; and a = 8.4992(1),
b = 11.7093(1), c = 4.2596(1) Å, β = 121.141(1)° for II. However, from the structural point of view, the three
polymorphs of BiB3O6 are closely related. The structure of β-BiB3O6 (I) contains a 2-dimensional borate layer,
which could be considered to be an intralayered additive product of α-BiB3O6. On the other hand, the 3-dimensional
borate framework in γ-BiB3O6 (II) could be considered to be an interlayered additive product of β-BiB3O6 (I).
According to the synthesis experiments and calculated density, it is proposed that compounds I and II should be
the low-temperature (high-pressure) polymorphs of BiB3O6.