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首页> 外文期刊>Journal of structural chemistry >Crystallochemistry of mercury chalcogenides. IV. Crystalline structure of two polymorphous modifications of the mercury sulfochalcogenide Hg3S2Br1.5Cl0.5
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Crystallochemistry of mercury chalcogenides. IV. Crystalline structure of two polymorphous modifications of the mercury sulfochalcogenide Hg3S2Br1.5Cl0.5

机译:汞硫族化物的晶体化学。 IV。硫化氢汞Hg3S2Br1.5Cl0.5的两个多态性修饰的晶体结构

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Two modifications of a new mercury sulfohalide of Hg3S2Br2-xClx, (x = 0.5) composition have been grown from the gas phase and explored by X-ray structural analysis. The compounds were obtained at an attempt to synthesize an analogue of the rare mineral arzakite Hg3S2(Br, Cl)(2) (Br > Cl). The refinement of the crystalline structures of monoclinic (I) and cubic (II) phases (I: a = 17.824(4) A, b = 9.238(2) A, c = 10.269(2) A, beta = 115.69(1)degrees, V= 1523.8(5) A(3), space group C2/m, Z = 8, R = 0.0513; II: a = 18.248(2) A, V= 6076.4(12) A(3), space group Pm3n, Z = 32, R = 0.038) has shown that they are polymorphous modifications of the compound of Hg3S2Br1.5Cl0.5 formula. The monoclinic modification I is isostractural to the synthetic compound alpha-Hg3S2Br2. Modification II is isostructural to synthetic beta-Hg3S2Cl2. In both structures, each atom S has in its surrounding three atoms of Hg forming umbrella-type groups SHg3 with spaces Hg-S 2.366-2.430 A and angles HgSHg 95.66-97.60 degrees. SHg3-fragments are bound by Hg-apices with the formation of isolated cubic groups [Hg12S8]. Like that in other structures of mercury chalcohalides, the main role in structure-forming of the investigated compounds is played by atoms of halogens creating a cubic sublattice in which radicals Hg-S are arranged.
机译:Hg3S2Br2-xClx(x = 0.5)组成的新型硫代卤化汞的两个修饰已从气相中生长出来,并通过X射线结构分析进行了探索。获得这些化合物是为了尝试合成稀有矿物方沸石Hg3S2(Br,Cl)(2)(Br> Cl)的类似物。单斜晶(I)和立方晶(II)相的晶体结构的细化(I:a = 17.824(4)A,b = 9.238(2)A,c = 10.269(2)A,beta = 115.69(1)度,V = 1523.8(5)A(3),空间组C2 / m,Z = 8,R = 0.0513; II:a = 18.248(2)A,V = 6076.4(12)A(3),空间组Pm3n,Z = 32,R = 0.038)已经表明它们是Hg3S2Br1.5Cl0.5分子式的化合物的多晶型修饰。单斜晶系修饰I与合成化合物α-Hg3S2Br2同构。修饰II与合成的β-Hg3S2Cl2同构。在这两种结构中,每个原子S在其周围的三个Hg原子中形成伞形基团SHg3,其间隔为Hg-S 2.366-2.430 A,且角HgSHg为95.66-97.60度。 SHg3片段受Hg分子束缚,形成孤立的立方基团[Hg12S8]。像卤化汞的其他结构一样,所研究化合物的结构形成中的主要作用是由卤素原子产生的立方亚晶格构成,其中Hg-S自由基被排列。

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