Synthesis and crystal structure of the new high-pressure phase CdB2O4.
Synthesis and crystal structure of the new high-pressure phase CdB2O4.
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DOI：
10.1002/chem.200800506
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发表时间：
2008-07
期刊：
影响因子：
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通讯作者：
J. Knyrim;H. Emme;M. Döblinger;O. Oeckler;M. Weil;H. Huppertz
中科院分区：
文献类型：
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作者：
J. Knyrim;H. Emme;M. Döblinger;O. Oeckler;M. Weil;H. Huppertz
使用高压/高温条件（7.5 GPa 和 1100 摄氏度；Walker 型多砧装置）从氧化物的化学计量混合物开始合成了新的硼酸镉 CdB2O4。根据单晶X射线衍射数据确定了晶体结构，揭示了六方空间群P6(3)，a=885.2(2)、c=716.72(8) pm、Z=8、R1=0.0178和wR2=0.0388（所有数据）。 CdB2O4 由 BO4 四面体互连层构成，首次展示了以 BaGa2O4、KAlSiO4、KGeAlO4、KCoPO4、CaP2N4 和最近发现的 SrP2N4 为代表的一系列化合物的基本结构。电子衍射证实了 CdB2O4 缺乏超结构有序性。此外，首次在该硼酸盐中发现了180度的B--O--B角。
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.