替代化合物Y(Ni,Si)_2的合成及结构

替代化合物y（nI，SI）2的合成及结构赵景泰毛少瑜（厦门大学化学系厦门361005）对于具有过渡成键特性的金属间化物，电子因素和原子尺寸效应在化合物形成及微观结构中都起着很重要的作用，不但表现在各种原子有其特殊的形成及原子配位环境规律［1，2］，而...国家自然科学青年基金;国家教委优秀年轻教师基

四元有序替代化合物Y(Rh,Ni)Ni_4Si_3的合成、结构及成键特性

电弧熔炼方法合成了y（rH，nI）nI4SI3，单晶X射线衍射方法测定了晶体结构.晶体学及结构修正参数：化学式y（rH.42nI.58）nI4SI3，Mr＝605.23，正交晶系，ynI5SI3替代类型，（62）Pn-MA，A＝1.8797（7）nM，b＝0.37860（3）nM，C＝0.68049（9）nM，V＝0.48427（7）nM3，z＝4，dX＝6.653g/CM3，μ＝31.437MM-1（λMOkα＝0.07107nM），f（000）＝912，T＝296k，对于30个最小二乘修正参数和239个独立可观察衍射点Wr＝0.052.nI原子处于SI的四面体配位中心且近邻原子数为12，而rH则处于SI的四方锥中心且近邻原子数为14个，符合金属间化物中原子的配位数规律，也说明在此化合物结构中几何堆积因素占了很重要地位.国家自然科学青年基金;国家教委资助优秀年轻教师基

Application of Oxalyl Dihydrazide in the Combustion Synthesis of LaAlO_3

通过金属硝酸盐和草酸二酰肼氧化还原的混合物燃烧方法合成了钙钛矿型lAAlO3粉末。混合物在350℃着火燃烧后产物为非晶态,进一步在500℃和600℃焙烧后得到单相结晶钙钛矿相。混合物的dSC分析得知,混合物的着火起始温度为340℃。这种软化学方法的应用使钙钛矿型lAAlO3的合成温度达到了迄今为止的最低温度。The LaAlO 3 Fine powder with perovskite structure has been synthesized by the combustion of redox mixture containing corresponding stoichiometric amount of metal nitrate, La(NO 3) 3·6H 2O and Al(NO 3) 3·9H 2O,and oxalyl dihydrazide, C 2H 6N 4O 2 at 350℃.The powder combustion product was amorphous.It could yields crystalline single phase perovskite aFter being calcined at 500℃ and 600℃.DSC analysis on the mixture shows that the process of combustion starts at 340℃.The application of such socalled soft chemistry method has reached the so Far lowest synthetic temperature of the perovskite type LaAlO 3.福建省自然科学基金;国家教委回国科研基

稀土化合物RE(HCO_2)_3(HNO_2)的合成与表征

合成了系列新化合物rE（HCO2）3（HnO2）（H2CO2）（rE＝y，Tb，dy，HO，Er，yb，TM），用X射线方法表征了其结构。单晶结构分析表明此新类型的结构为正交晶系且具有非中心对称空间群（20）C2221，晶体结构为三维网络结构，结构的..

金属性Zintl相化合物RE_3Cu_3Sb_4(RE=Nd,Sm,Tb,Dy,Ho)的合成、结构及成键特性

用电弧熔炼方法合成了化合物rE3Cu3Sb4（rE＝ nd，SM ，Tb，dy，HO）， 采用粉末X射线衍射方法测定了其晶体结构。化合物属立方晶系，y3Au3Sb4 类型， 空间群I43d（nO.220），皮尔森玛CI40。晶胞参数：nd3Cu3Sb4 ：A＝0.96749（1） nM， V＝0.90561（3） nM3；SM3Cu3Sb4：A＝ -0.96145（1） nM ，V＝0.88875（3） nM3 ；Tb3Cu3Sb4： A＝0.95362（1） nM ， V＝ 0.86721（3）nM3；dy3Cu3Sb4： A＝0.95088（1） nM ， V＝0.85975（3） nM3；HO3Cu3Sb4 ： A＝0.9488（2） nM ， V＝0.8541（5） nM3。每个单胞中包含4 个化合式量。此结构中，Cu 原子均处于Sb 原子所形成的配位四面体中心， 这些共价结合的配位四面体通过共顶最终联接形成三维CuSb 网络，稀土原子则散布在网络之间的空隙中。化合物电荷平衡结构式可表示为rE3＋3 Cu1＋3 Sb3-4 ， 化合物具有导电性， 为金属性zInTl 相。原子成键具有典型过渡性。原子的“配位数”遵从配位环境规律。化合物

Program Package for Three Dimensional Crystal Structure Animation

将计算机三维动画技术引入晶体结构研究 ,用C语言设计制作出用于绘制动态三维真彩色晶体结构图的大型计算机绘图软件包———晶体结构三维实体造型系统软件包 3DSPLOTS ,利用晶格常数、空间群、原子坐标和原子半径等参数在计算机模拟的三维空间内制作出晶体结构的动画影像 ,引入三维晶体结构动画概念 ,使晶体结构的绘图技术从静态图向动态图发展。The computer technique of three dimensional animation was first introducedinto graphics of crystal structures. A program package 3DSPLOTS has been designed for buildingthree dimensional model of crystal structures. It generates ball and stick or polyhedral diagrams,and can plot atoms as spheres in true color. Polyhedra can be of any complexity besides triangle,tetrahedra and octahedra. The files exported by 3DSPLOTS can be imported to 3D Studio ofAutodesk. Fifty animations of crystal structures such as Diamond, Graphite, Fluorite, Sphalerite,Niccolite, Chalcopyrite, Rutile, Spinel, Corundum, Albite etc, have been plotted and publishedin disk of CD R.山东大学晶体材料国家重点实验室开放基金;; 国氏博士后基

Syntheses and characterizations of rare earth compounds RE(HCO2)(3)(HNO2) (H2CO2) (RE = Y, Tb, Dy, Ho, Er, Yb, Tm)

A series of novel inclusion compounds with compositions of RE(HCO2)(3)(HNO2)( H2CO2) (RE = Y, Tb, Dy, Ho, Er, Yb, Tm) were synthesized and structures were characterized by X-ray methods. The orthorhombic structure was shown to be a new type with a non-centrosymmetric space group (20) C222(1) by single crystal structure determinations. It is characterized by networks of rare earth centered square anti-prisms formed by eight oxygen atoms through bridging carbon and nitrogen atoms. The guest formic acid molecules H2CO2 are distributed inside the open tunnels along the crystallographic a axis. The magnetic susceptibility measurements show the heavy rare earth compounds follow the Curie-Weiss law and the calculated numbers of Bohr magnetons are consistent with the RE3+ ions. The yttrium compound shows very weak temperature independent paramagnetism

铟硼磷酸盐结构中的交叠生长规律研究

Several indium borophosphates have been reported recently, including KIn[BP2O8(OH)](I) and NaIn[BP2O8(OH)](H). The latter two compounds were synthesized under mild hydrothermal conditions, and have the same molar ratio (M-I:In:B:P:O:H) in molecular formula but with different structure types. Compound I crystallizes in the triclinic system with space group P (1) over bar (No.2), a=0.52638(4) nm, b=0.84791(5) nm, c=0.81469(9) nm, alpha=91.1741(7)degrees, beta=93.061(7)degrees, gamma=79.823(5)degrees, V=0.3573 nm(3), Z=2; while compound II possesses a monoclinic structure with space group P2(1)/n (No.14) with a=0.5177(1) nm, b=1.6815(3) nm, c=0.7684(2) nm, beta=94.10(3)degrees, V=0.6672(2) nm(3), Z=4. Eight- membered-ring and six-membered-ring are formed by alternating borate, phosphate tetrahedra and In-coordination octahedron sharing corners via common oxygen atoms in compound I and H respectively. The polyhedra in the structure are oriented along certain direction to form alternating layered fragments. These two structure types can be considered as intergrowth structures, which consist of the same layered fragments growing in different orientations. Other structure intergrowth possibilities are also expected in similar systems

Sm based Composite Oxide with Fluorite Structure: Preparation and Catalytic PerFormance For Combustion of Methane

用电弧熔炼法合成SMAlgE，以单晶X射线衍射法测定晶体结构.晶体学及结构修正参数：化学式SMAlgE，Mr＝250.0，正交晶系，lAPTSI类型，（109）I41Md，A＝0.41957（3）nM，C＝1.4588（2）nM，V＝0.25679（4）nM3，z＝4，dX＝6.464g/CM3，μ＝35.27MM-1（λMOk＝0.07107nM），f（000）＝428，T＝296k，对于12个最小二乘修正参数和120个独立可观察衍射点r＝0.030，Wr＝0.025.此化合物中主要是Al-gE的共价结合并形成三维网络，经典极限情况下结构式可写成SM3＋Al2-gE1-，可称为“METAlICzInTlPHASE“.而yAlgE中Al-gE准二维网络为共价到金属结合过渡，几何堆积因素占了很重要地位.Zirconia rare earth based Fluorite type composite oxides have a comparable catalytic activity For CH 4 combustion to that of lanthanum metalates with perovskite structure, by which is shown the conversion of CH 4 per unit catalyst weight or per unit surFace area, the light ofF temperature, and,particularly,its quite well high temperature character.It has been shown that the activity of this new catalytic material is sensitive to the preparation process:both coprecipitation in carbonate and chemical mixing with organic acids give the better results, while the coprecipitation in hydroxides reaches only a little success.中国国家自然科学青年基金;瑞士国家自然科学基