Crystal Structures of the New Borate Fluorides BaMBO3F2 (M=Ga, Al)
Crystal Structures of the New Borate Fluorides BaMBO3F2 (M=Ga, Al)
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DOI：
10.1006/jssc.2000.8924
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发表时间：
2000-12
影响因子：
5.4
通讯作者：
Hyunsoo Park;J. Barbier
中科院分区：
文献类型：
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作者：
Hyunsoo Park;J. Barbier
摘要采用水热反应和固相反应合成了两种新型硼酸氟化合物Ba M BO 3 f2 （M =Ga, Al）。用单晶x射线衍射测定了BaGaBO 3f2的结构(p6.3 / m, a =4.907(2) a, c =9.620（5) a, Z =2, wR (f2)=0.039）。通过粉末x射线数据的Rietveld细化，证实baalbo3f2具有等结构(a =4.882（1) a, c =9.398(1) a, Z =2, rwp =0.222, χ 3=2.59）。BaMBO 3f2结构类型由（001）层共享角的MO 3f2三角形双棱形和BO 3三角形组成，Ba原子填充12个协调的层间位。
Abstract Two new borate fluorides, Ba M BO 3 F 2 ( M =Ga, Al), have been synthesized by hydrothermal and solid-state reactions. The structure of BaGaBO 3 F 2 has been determined by single-crystal X-ray diffraction ( P 6 3 / m , a =4.907(2) A, c =9.620(5) A, Z =2, wR (F 2 )=0.039 for 334 unique reflections). BaAlBO 3 F 2 has been confirmed to be isostructural by Rietveld refinement of powder X-ray data ( a =4.882(1) A, c =9.398(1) A, Z =2, R wp =0.222, χ 3=2.59). The BaMBO 3 F 2 structure-type is built of (001) layers of corner-sharing MO 3 F 2 triangular bipyramids and BO 3 triangles, with the Ba atoms filling 12-coordinated interlayer sites.