Abstract

Pr₃Ga₅SiO₁₄ crystals from the langasite family have been grown by the floating zone melting technique. Their X-ray diffraction analysis is performed at 16 different temperatures in range of 94–293 K. An experiment with ultrahigh resolution at 94 K has yielded the most exact structural model: sp. gr. P321, Z = 1, a = 8.07636(4) Å, c = 5.06586(2) Å, R1/wR2 = 1.192/1.185%, and Δρ_min/Δρ_max = –0.93/+0.79 e/ų for 3852 unique reflections and 123 refined parameters. The temperature evolution of atomic displacement parameters is estimated based on multitemperature data using the extended Einstein and Debye models. Static components of atomic displacements are selected and the characteristic Einstein and Debye temperatures for structure atoms are determined. No structural anomalies have been found.

中文翻译：

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兰加斯特族的Pr 3 Ga 5 SiO 14原子结构的晶体生长和温度演化

摘要

通过浮区熔化技术已经生长了来自蓝矾石族的Pr ₃ Ga ₅ SiO ₁₄晶体。他们的X射线衍射分析是在94–293 K范围内的16个不同温度下进行的。一项在94 K下进行超高分辨率的实验得出了最精确的结构模型：sp。gr。P 321，Ž = 1，一个= 8.07636（4），C ^ = 5.06586（2）埃，- [R 1 / WR 2 = 1.192 / 1.185％，且Δρ_最小/Δρ_最大= -0.93 / + 0.79 E / A ³3852个唯一反射和123个精炼参数。使用扩展的爱因斯坦和德拜模型，根据多温度数据估算原子位移参数的温度演变。选择原子位移的静态分量，并确定结构原子的特征爱因斯坦和德拜温度。没有发现结构异常。