10.1021/ic050190k.s001
Linyan Li
Linyan
Li
Guobao Li
Guobao
Li
Yingxia Wang
Yingxia
Wang
Fuhui Liao
Fuhui
Liao
Jianhua Lin
Jianhua
Lin
Bismuth Borates: Two New Polymorphs of BiB<sub>3</sub>O<sub>6</sub>
American Chemical Society
2005
borate layer
interlayered additive product
boric acid
borate framework
synthesis experiments
NLO
New Polymorphs
noncentrosymmetric space group
II
BiB 3 O 6
intralayered additive product
2005-11-14 00:00:00
Journal contribution
https://acs.figshare.com/articles/journal_contribution/Bismuth_Borates_Two_New_Polymorphs_of_BiB_sub_3_sub_O_sub_6_sub_/3257311
Two new polymorphs of BiB<sub>3</sub>O<sub>6</sub> were identified at low temperatures using boric acid as a flux. Unlike α-BiB<sub>3</sub>O<sub>6</sub>,
which crystallizes in a noncentrosymmetric space group and, thus, shows exceptional nonlinear optical (NLO)
properties, β-BiB<sub>3</sub>O<sub>6</sub> (<b>I</b>) and γ-BiB<sub>3</sub>O<sub>6</sub> (<b>II</b>) crystallize in the centrosymmetric space group <i>P</i>2<sub>1</sub>/<i>n</i> with the following
lattice parameters: <i>a</i> = 14.1664(1), <i>b</i> = 6.7514(1), <i>c</i> = 4.4290(1) Å, <i>β</i> = 102.125(1)° for <b>I</b>; and <i>a</i> = 8.4992(1),
<i>b</i> = 11.7093(1), <i>c</i> = 4.2596(1) Å, <i>β</i> = 121.141(1)° for <b>II</b>. However, from the structural point of view, the three
polymorphs of BiB<sub>3</sub>O<sub>6</sub> are closely related. The structure of β-BiB<sub>3</sub>O<sub>6</sub> (<b>I</b>) contains a 2-dimensional borate layer,
which could be considered to be an intralayered additive product of α-BiB<sub>3</sub>O<sub>6</sub>. On the other hand, the 3-dimensional
borate framework in γ-BiB<sub>3</sub>O<sub>6</sub> (<b>II</b>) could be considered to be an interlayered additive product of β-BiB<sub>3</sub>O<sub>6</sub> (<b>I</b>).
According to the synthesis experiments and calculated density, it is proposed that compounds <b>I </b>and <b>II</b> should be
the low-temperature (high-pressure) polymorphs of BiB<sub>3</sub>O<sub>6</sub>.