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| Fe2BP3O12的合成及晶体结构 | |
| 引用本文： | 陈昊鸿,葛明辉,杨昕昕,宓锦校,赵景泰.Fe2BP3O12的合成及晶体结构[J].无机材料学报,2004,19(2):429-432. |
| 作者姓名： | 陈昊鸿 葛明辉 杨昕昕 宓锦校 赵景泰 |
| 作者单位： | 1. 中国科学院上海硅酸盐所高性能陶瓷和超微结构国家重点实验室,上海,200050 2. 中国科学院上海硅酸盐所高性能陶瓷和超微结构国家重点实验室,上海,200050;厦门大学化学化工学院,厦门,361005 3. 厦门大学化学化工学院,厦门,361005 |
| 基金项目： | 国家自然科学基金委杰出青年基金(20025101);上海市光科技发展基金(022261015);国家科技部863计划(2002AA324070) |
| 摘 要： | 采用固态反应方法合成了有序的铁基硼磷酸盐Fe2BP3O12,用X射线粉末衍射方法精修了其晶体结构,属三方晶系,空间群为P3,a=8.02703(6)A,c=7.40168(9)A,V=413.02(1)A3,Dx=3.2758(1)(g/cm3),Z=2,对于55个参数,用188条衍射线及18001个衍射强度全谱数据点精修到R(I)=6.35%,R(p)=15.36%,所对应的R(dbw)=10.12%.B原子具有三角形氧配位,P和Fe的氧配位分别是四面体和八面体.Fe的两配位八面体共面形成新结构单元,BO3三角形联接磷氧和铁氧多面体形成三维结构.对比同构的铬硼磷酸盐,此化合物期望具有类似的非线性光学及其它非线性物理性质. |
| 关 键 词： | Fe2BP3O12 合成 硼磷酸盐 固态反应 晶体结构 X射线粉末衍射方法 氧配位 |
| 文章编号： | 1000-324X(2004)02-0429-04 |
| 收稿时间： | 2003-1-23 |
| 修稿时间： | 2003-6-25 |
Synthesis and Crystal Structure of Fe2BP3O12 |
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| CHEN Hao-Hong,GE Ming-Hui,YANG Xin-Xin,MI Jin-Xiao,ZHAO Jing-Tai.Synthesis and Crystal Structure of Fe2BP3O12[J].Journal of Inorganic Materials,2004,19(2):429-432. | |
| Authors: | CHEN Hao-Hong GE Ming-Hui YANG Xin-Xin MI Jin-Xiao ZHAO Jing-Tai |
| Affiliation: | 1.StateKeyLaboratoryofHighPerformanceCeramics&SuperfineMicrostructure;ShanghaiInstituteofCeramics;ChineseAcademyofSciences;Shanghai200050;China;2.CollegeofChemistryandChemicalEngineering;XiamenUniversity;Xiamen361005;China |
| Abstract: | Fe2BP3O12 was synthesized by high temperature solid state reactions. Its crystal structure was refined by powder X-ray diffraction methods, belonging to trigonal system with space group P3, a=8.02703(6)A, c=7.40168(9)A, V=413.02(1)A3, Dx=3.2758(1)(g/cm3), Z=2. The full profile refinement resulted to R(I)=6.35%, R(p)=15.36% and R(dbw)=10.12% for 55 parameters using 188 reflections and 18001 profile data points. The structure contains BP3O12]4- poly-anion, built by trigonal planar BO3 sharing the three corner oxygen atom with three PO4 tetrahedra. And Fe2O9 bi-octahedra fused by two face-sharing FeO6 connect with the poly-anions forming three dimensional ordered structure. Compared with its chromium isotypic compound, Cr2BP3O12, which shows NLO property, the title compound may be a potential NLO material. |
| Keywords: | borophosphate solid state synthesis crystal structure powder diffraction |
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