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Neutron diffraction investigation of strontium tellurite glass, anti-glass and crystalline phases
Phase Transitions ( IF 1.6 ) Pub Date : 2020-10-13 , DOI: 10.1080/01411594.2020.1832225 Rajinder Kaur 1 , Atul Khanna 1 , Margit Fábián 2
Phase Transitions ( IF 1.6 ) Pub Date : 2020-10-13 , DOI: 10.1080/01411594.2020.1832225 Rajinder Kaur 1 , Atul Khanna 1 , Margit Fábián 2
Affiliation
ABSTRACT Neutron diffraction studies were performed on xSrO-(100-x)TeO2 (x = 5, 7.5 and 10 mol%) glass, anti-glass and crystalline samples. For the structural modeling, Fourier transformation, Reverse Monte Carlo (RMC) simulations and Rietveld refinement were used. The pair distribution functions show the nearest neighbor peaks of Sr—O, Te—O and O—O correlations at 2.64, 1.95 and 2.70 Å, respectively. RMC analysis was used to determine the partial pair distributions, cation-oxygen bond lengths, co-ordination numbers and three-particle bond-angle distributions. The glass sample with 7.5 mol% SrO was transformed into the anti-glass phases by annealing at 350°C and into the crystalline phases by annealing of the anti-glass sample at 450°C. The crystal structure parameters of the anti-glass and crystalline samples were determined by Rietveld analysis and it was found that the anti-glass sample contains disordered SrTe5O11 and SrTeO3 phases, while the crystalline sample contains monoclinic SrTeO3 and orthorhombic TeO2 phases.
中文翻译:
锶碲酸盐玻璃、抗玻璃相和结晶相的中子衍射研究
摘要 对 xSrO-(100-x)TeO2(x = 5、7.5 和 10 mol%)玻璃、抗玻璃和结晶样品进行了中子衍射研究。对于结构建模,使用了傅立叶变换、逆蒙特卡罗 (RMC) 模拟和 Rietveld 细化。配对分布函数分别显示 Sr-O、Te-O 和 O-O 相关性的最近邻峰分别为 2.64、1.95 和 2.70 Å。RMC 分析用于确定部分对分布、阳离子-氧键长度、配位数和三粒子键角分布。含有 7.5 mol% SrO 的玻璃样品通过在 350°C 下退火转化为抗玻璃相,并通过在 450°C 下将抗玻璃样品退火转化为结晶相。
更新日期:2020-10-13
中文翻译:
锶碲酸盐玻璃、抗玻璃相和结晶相的中子衍射研究
摘要 对 xSrO-(100-x)TeO2(x = 5、7.5 和 10 mol%)玻璃、抗玻璃和结晶样品进行了中子衍射研究。对于结构建模,使用了傅立叶变换、逆蒙特卡罗 (RMC) 模拟和 Rietveld 细化。配对分布函数分别显示 Sr-O、Te-O 和 O-O 相关性的最近邻峰分别为 2.64、1.95 和 2.70 Å。RMC 分析用于确定部分对分布、阳离子-氧键长度、配位数和三粒子键角分布。含有 7.5 mol% SrO 的玻璃样品通过在 350°C 下退火转化为抗玻璃相,并通过在 450°C 下将抗玻璃样品退火转化为结晶相。