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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of SrGeO3 in the high-pressure perovskite-type phase
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Crystal structure of SrGeO3 in the high-pressure perovskite-type phase

机译：高压钙钛矿型相中SrGeO3的晶体结构

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摘要

Single crystals of the SrGeO3 (strontium germanium trioxide) high-pressure phase have been synthesized successfully at 6 GPa and 1223 K. The compound crystallizes with the ideal cubic perovskite-type structure (space group Pm-3m), which consists of a network of corner-linked regular GeO6 octa­hedra (point-group symmetry m-3m), with the larger Sr atoms located at the centers of cavities in the form of SrO12 cubocta­hedra (point-group symmetry m-3m) in the network. The degrees of covalencies included in the Sr—O and the Ge—O bonds calculated from bond valences are 20.4 and 48.9%, respectively. Thus, the Ge—O bond of the GeO6 octa­hedron in the SrGeO3 perovskite has a strong covalency, comparable to those of the Si—O bonds of the SiO4 tetra­hedra in silicates with about 50% covalency. The thermal vibrations of the O atoms in the title compound are remarkably suppressed in the directions of the Ge—O bonds. This anisotropy ranks among the largest observed in stoichiometric cubic perovskites.
机译：已成功在6 GPa和1223 K的条件下成功合成了SrGeO3（三氧化锶锗）高压相的单晶，该化合物具有理想的立方钙钛矿型结构（空间群Pm-3m）结晶，该结构由一个角连接的规则GeO6八面体（点群对称m-3m），较大的Sr原子以SrO12立方八面体的形式位于点腔中心（点群对称m-3m）。由键价计算出的Sr-O键和Ge-O键中的共价度分别为20.4％和48.9％。因此，SrGeO3钙钛矿中GeO6八面体的Ge-O键具有很强的共价性，与硅酸盐中SiO4四面体的Si-O键具有约50％的共价性相当。标题化合物中的O原子的热振动在Ge-O键的方向上被显着抑制。这种各向异性是化学计量立方钙钛矿中观察到的最大各向异性。

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