首页> 外文期刊>Zeitschrift fur Naturforschung, B. A Journal of Chemical Sciences >Zur Kristallchemie des ersten Blei-Zink-Silicium-Telluroxids: PbZn_4SiTeO_(10)
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Zur Kristallchemie des ersten Blei-Zink-Silicium-Telluroxids: PbZn_4SiTeO_(10)

机译:关于第一铅锌硅硅碲氧化物PbZn_4SiTeO_(10)的晶体化学

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摘要

Single crystals of the new lead zinc silicon tellurium oxide PbZn_4SiTeO_(10) have been prepared by solid state reaction in air. The compound is colourless and crystallizes in orthorhombic symmetry space group D_(2n)~(16) Pnma, with the cell parameters: a = 6.542 (5), b = 15.642 (4), c = 8.280 (4) A, Z = 4. The structure has been determined from a single crystal X-ray study and refined to the conventional values R = 0.032 and wR(F~2) = 0.050. Zn~(2+) and Si~(4+) show tetrahedral and Te~(6+) octahedral coordination by O~(2-). The crystal structure is dominated by a _(infinity)~3 [Zn_4O_(10)]~(12-) framework with isolated TeO_6~(6+) and SiO_4~(4+) polyhedra. Pb~(2+) ions are incorporated in the network. The centres of negative charge of the lone pairs of Pb~(2+) are estimated by calculations of the Coulomb term of the lattice energy.
机译:通过在空气中进行固相反应,制备了新型铅锌硅氧化碲PbZn_4SiTeO_(10)的单晶。该化合物是无色的,在正交对称空间群D_(2n)〜(16)Pnma中结晶,其晶胞参数为:a = 6.542(5),b = 15.642(4),c = 8.280(4)A,Z = 4.通过单晶X射线研究确定了结构,并将其精炼为常规值R = 0.032和wR(F〜2)= 0.050。 Zn〜(2+)和Si〜(4+)通过O〜(2-)表现出四面体和Te〜(6+)八面体配位。晶体结构以_(无穷大)〜3 [Zn_4O_(10)]〜(12-)骨架为主,具有孤立的TeO_6〜(6+)和SiO_4〜(4+)多面体。 Pb〜(2+)离子被并入网络。通过计算晶格能的库仑项来估算Pb〜(2+)孤对的负电荷中心。

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