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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Atomic and domain structure of the low-temperature phase of barium metagermanate (BaGeO3)
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Atomic and domain structure of the low-temperature phase of barium metagermanate (BaGeO3)

机译:偏锗酸钡(BaGeO3)低温相的原子和畴结构

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The crystal structure of the low-temperature form of barium metagermanate (BaGeO3) has been determined from laboratory X-ray powder diffraction data collected at 298.5 (5) K. The structure was found to consist of alternating layers of Ba cations and [GeO3](3) rings, and is closely related to pseudowollastonite. The rings show a twofold positional disorder owing to stacking faults. The stacking is not random, but can be rationalized by a twinning mechanism mapping the two non-congruent enantiomorphic polytypes of the structure onto each other. This model also explains the diffuse scattering and twinning observed in SAED and HRTEM, as well as the size and strain-like broadening effects found in the XRPD pattern.
机译:低温形式的偏锗酸钡(BaGeO3)的晶体结构是根据在298.5(5)K下收集的实验室X射线粉末衍射数据确定的。该结构由钡阳离子和[GeO3]的交替层组成(3)环,与假硅灰石密切相关。由于堆垛层错,这些环显示出双重的位置混乱。堆积不是随机的,但是可以通过孪生机制来合理化,该孪生机制将结构的两个非一致对映体多态性相互映射。该模型还解释了在SAED和HRTEM中观察到的弥散散射和孪晶现象,以及XRPD模式中发现的尺寸和类似应变的展宽效应。

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