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Hf3As has a monoclinic unit cell of dimensions a = 15.3898(14) Å, b = 5.3795(5) Å, c = 15.330(14) Å, β = 90.291(6)°. A structure proposal based on space group C2c (No. 15) has been refined by the least-squares method using a Rietveld-type fullprofile analysis of Guinier-Hägg X-ray powder film intensity data. The Hf3As structure is an intermediate between the Fe3P and the Ti3P types. The atomic coordination follows rules formulated earlier for representatives of the Fe3PTi3PV3S family of structures.  相似文献   

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The crystal structure of Pd2B has been investigated by X-ray powder diffraction and single-crystal diffractometry. There are strong indications that Pd2B crystallizes with the anti-CaCl2 type structure (C 35), space group Pnnm (No. 58), a = 4.6918(4) Å, b = 5.1271(4) Å, and c = 3.1096(3) Å, but the extent to which the boron atoms assume ordered positions cannot be determined precisely with X-ray diffraction methods alone.  相似文献   

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α-SrMnO3 crystallizes in the hexagonal system with unit-cell dimensions a = 5.454(1) Å, c = 9.092(2)Å, space group P63mmc, Z = 4. The structure was solved by the heavy-atom method; of 404 unique reflections measured by counter method, 203 that obeyed the condition |F0| ≥ 3σ (|F0|) were used in the refinement to a conventional R value of 0.043. The structure consists of four close-packed SrO3 layers in an ABAC stacking sequence along the hexagonal c axis. Oxygen octahedra containing Mn4+ are grouped into face-sharing pairs linked by corner sharing within the cubically stacked “A” layer.  相似文献   

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The crystal structure of α-copper vanadate has been determined and refined by full-matrix least-squares procedures using automatic diffractometer data to a residual R = 0.050 (Rw = 0.059). The space group is rhombohedral, R3, with hexagonal unit cell a = 12.857(3) and c = 7.161(2) Å (aR = 7.797(2) Å and α = 111.06(1)°). On the basis of the detailed structural analysis the contents Cu7?xV6O19?x with x = 0.22 are proposed for the rhombohedral cell. Copper is in the divalent and vanadium in the quadrivalent state. The structure is based on a cubic close-packed array of oxygen ions with the vanadium ion occupying an octahedral site, one copper in a partially occupied octahedral site and the other copper in a tetrahedral site. The latter is one of the few examples of tetrahedrally coordinated copper.  相似文献   

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The crystal structure of synthetic copper arsenic selenide CuAsSe, has been determined by a three-dimensional single-crystal X-ray examination using film data. The crystals, of orthorhombic space group Pbcn, have Z = 24 in a unit cell of dimensions a = 11.75 ± 0.02, b = 6.79 ± 0.01, and c = 19.21 ± 0.03 Å. The structure was solved by Patterson projection and electron density methods and isotropically refined to R = 0.125 for 300 observed reflections. The structure of CuAsSe is related to the B6 structure of 6H ZnS as CuAsS is to the B3 structure of zincblende. Alternately in Jagodzinski nomenclature CuAsSe has hcc packing rather than ccc packing of CuAsS.  相似文献   

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雷公藤系卫矛科植物( Tripterygium wlfordii Hook. f) , 1972) 年,Kupechan从分得三种环二萜内酯类化合物,显示出较强的抗白血压病活性。为了寻找低毒有效的类似物,本文从雷公藤根皮乙醇提取物的氯仿溶出部分,反复经硅胶柱层析分理,得到一种新的环氧二萜酯;雷共藤内酯四醇(Tripletraolide)。在乙酸乙酯重结晶,得无色长极状晶体,m.p.258~260℃。经高分辩质谱确定其分子为C~0H~26O~8,M~r=394.2。  相似文献   

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The crystal structure of nonactin   总被引:1,自引:0,他引:1  
An X-ray crystal structure investigation of the macrotetrolide antibiotic nonactin is reported. The shape of the molecule is discussed with special reference to the conformational changes involved in passing from free nonactin to the K+-complex.  相似文献   

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新马兜铃内酯的晶体结构   总被引:1,自引:0,他引:1  
从绵毛马兜铃的根茎中分离出一种新的倍半萜内酯, 它的分子式由高分辨质谱数据确定为C~1~5H~2~0O~2, 它的结构用单晶X射线衍射法测定, 晶体属三斜晶系, 空间群为P1, a=0.6275(3)nm, b=0.8057(4)nm, c=1.3622(6)nm; α=88.78(4)°,β=91.44(4)°, γ=105.20(4)°; Z=2.3107。  相似文献   

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在Rigakui AFC5R四圆衍射仪上测定了异雷藤内酯四醇的晶体结构.晶体属单斜晶系的空间群P2~1,晶胞参数为:a=1.021(1),b=1,126(1),c=1.8209(9)nm,β=98.84(5)°V~c=2.09(3)nm^3,Z=4.表2  相似文献   

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Summary The reaction of 3,3,5,7-tetraacetylquercetin with tetraacetylglucopyranosyl bromide has given quercetin 4-O--D-glucopyranoside, and the substance has been characterized.Khar'kov Scientific-Research Institute of Pharmaceutical Chemistry. Translated from Khimiya Prirodnykh Soedinenii, No. 5, pp. 577–578, September–October, 1974.  相似文献   

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The crystal structure of (C6H5)3SnCH2CHCH2 has been determined. The asymmetric unit consists of two molecules of triphenylallyltin having virtually the same conformation. Their geometrical parameters exclude pπ-dπ bonding between the metal and the allyl double bond, and seem to be in a better agreement with a σ-π conjugation effect.  相似文献   

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