Knyrim Johanna S, Emme Holger, Döblinger Markus, Oeckler Oliver, Weil Matthias, Huppertz Hubert
Department Chemie und Biochemie, Ludwig-Maximilians-Universität München, Butenandtstrasse 5-13 (Haus D), 81377 München, Germany.
Chemistry. 2008;14(20):6149-54. doi: 10.1002/chem.200800506.
The use of high-pressure/high-temperature conditions (7.5 GPa and 1100 degrees C; Walker-type multianvil apparatus) led to the synthesis of a new cadmium borate CdB2O4, starting from stoichiometric mixtures of the oxides. The crystal structure was determined on the basis of single crystal X-ray diffraction data, to reveal the hexagonal space group P6(3) with a=885.2(2), c=716.72(8) pm, Z=8, R1=0.0178, and wR2=0.0388 (all data). CdB2O4 is built up from interconnected layers of BO4-tetrahedra and exhibits for the first time the basic structure of a family of compounds, represented by BaGa2O4, KAlSiO4, KGeAlO4, KCoPO4, CaP2N4 and the recently discovered SrP2N4. The lack of superstructure ordering in CdB2O4 was confirmed by electron diffraction. Additionally, a B--O--B angle of 180 degrees was found in this borate for the first time.
在高压/高温条件（7.5吉帕斯卡和1100摄氏度；沃克型多砧装置）下，从氧化物的化学计量混合物出发合成了一种新的硼酸镉CdB₂O₄。基于单晶X射线衍射数据确定了晶体结构，结果表明其属于六方空间群P6(3)，a = 885.2(2)皮米，c = 716.72(8)皮米，Z = 8，R1 = 0.0178，wR2 = 0.0388（所有数据）。CdB₂O₄由相互连接的BO₄四面体层构成，首次展现了以BaGa₂O₄、KAlSiO₄、KGeAlO₄、KCoPO₄、CaP₂N₄以及最近发现的SrP₂N₄为代表的一类化合物的基本结构。电子衍射证实了CdB₂O₄中不存在超结构有序性。此外，在这种硼酸盐中首次发现了180度的B - O - B角。
