首页> 外文期刊>Acta Crystallographica, Section B. Structural science, crystal engineering and materials >Daliranite, PbHgAs_2S_5: determination of the incommensurately modulated structure and revision of the chemical formula
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Daliranite, PbHgAs_2S_5: determination of the incommensurately modulated structure and revision of the chemical formula

机译:Daliranite,PBHGAS_2S_5:测定化学式的不计的结构和修订

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摘要

The incommensurately modulated crystal structure of the mineral daliranite has been determined using 3D electron diffraction data obtained on nanocrystalline domains. Daliranite is orthorhombic with a = 21, b = 4.3, c = 9.5 ? and shows modulation satellites along c. The solution of the average structure in the Pnma space group together with energy-dispersive X-ray spectroscopy data obtained on the same domains indicate a chemical formula of PbHgAs_2S_5, which has one S fewer than previously reported. The crystal structure of daliranite is built from columns of face-sharing PbS_8 bicapped trigonal prisms laterally connected by ~([2+4])Hg polyhedra and (As~(3+)_2S_5)~(4-) groups. The excellent quality of the electron diffraction data allows a structural model to be built for the modulated structure in superspace, which shows that the modulation is due to an alternated occupancy of a split As site.
机译:使用在纳米晶结构域中获得的3D电子衍射数据确定了矿物二硅酸盐的不计的晶体结构。 二硅酸盐与A = 21,B = 4.3,C = 9.5的斜角间晶状体是正极的? 并显示沿C的调制卫星。 PNMA空间组的平均结构的溶液与在同一结构域上获得的能量分散X射线光谱数据表示PBHGAS_2S_5的化学式,其具有少于先前报道的。 二硅酸盐的晶体结构是由〜([2 + 4])Hg多面体的横向连接的面部共享PBS_8偏相的三角形棱镜柱构建,(AS〜(3 +)_ 2S_5)〜(4-)组。 电子衍射数据的优异质量允许为超空间中的调制结构构建结构模型,这表明调制是由于分体式作为地点的交替占用。

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