...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >A Synchrotron X-ray Study of the Electron Density in C-Type Rare Earth Oxides
【24h】

A Synchrotron X-ray Study of the Electron Density in C-Type Rare Earth Oxides

机译：C型稀土氧化物中电子密度的同步X射线研究

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Structure factors for small synthetic crystals of the C-type rare earth (RE) sesquioxides Y_2O_3, Dy_2O_3 and HO_2O_3 were measured with focused A = 0.7000 (2) A synchrotron X-radiation, and for HO2O3 were re-measured with an Mo Ka (A = 0.71073 A) source. Approximate symmetry in the deformation electron density (Ap) around a RE atom with pseudo-octahedral O coordination matches the cation geometry. Interactions between heavy metal atoms have a pronounced effect on the Ap map. The electron-density symmetry around a second RE atom is also perturbed significantly by cation-anion interactions. The compounds' magnetic properties reflect this complexity. Space group Ia3, cubic, Z = 16, T = 293 K: Y2O3, Mr = 225.82, a = 10.5981 (7) A, V = 1190.4 (2) A3, Dx = 5.040 Mg nr3, μ0.7 = 37.01 mm-1, 7^(000) = 1632, R = 0.067, wR = 0.067, S = 9.0(2) for 1098 unique reflections; DV2O3, Mr = 373.00, a = 10.6706 (7) A, V= 1215.0(2) A3, Dx = 8.156 Mg m"3, /uo.7 = 44.84 mm-1, ^(000) = 2496, R = 0.056, wR = 0.051, S = 7.5(2) for 1113 unique reflections; Ho2O3, Mr = 377.86, a = 10.606 (2) A, V= 1193.0 (7) A3, Dx = 8.415 Mg rrr3, /u07 = 48.51 mm'1, F(000) = 2528, R = 0.072, wR = 0.045, S = 9.2 (2) for 1098 unique reflections of the synchrotron data set.
机译：用聚焦A = 0.7000测量了C型稀土倍半氧化物Y_2O_3，Dy_2O_3和HO_2O_3的小型合成晶体的结构因子（2）同步辐射X射线，用Mo Ka重新测量了HO2O3（ A = 0.71073 A）源。具有伪八面体O配位的RE原子周围的变形电子密度（Ap）的近似对称性与阳离子的几何形状匹配。重金属原子之间的相互作用对Ap图有显着影响。阳离子-阴离子相互作用也极大地扰动了第二个RE原子周围的电子密度对称性。化合物的磁性能反映了这种复杂性。空间群Ia3，立方，Z = 16，T = 293 K：Y2O3，Mr = 225.82，a = 10.5981（7）A，V = 1190.4（2）A3，Dx = 5.040 Mg nr3，μ0.7= 37.01 mm- 1，7 ^（000）= 1632，R = 0.067，wR = 0.067，S = 9.0（2）对于1098次唯一反射; DV2O3，Mr = 373.00，a = 10.6706（7）A，V = 1215.0（2）A3，Dx = 8.156 Mg m“ 3，/ uo.7 = 44.84 mm-1，^（000）= 2496，R = 0.056 ，对于1113次唯一反射，wR = 0.051，S = 7.5（2）; Ho2O3，Mr = 377.86，a = 10.606（2）A，V = 1193.0（7）A3，Dx = 8.415 Mg rrr3，/ u07 = 48.51 mm' 1，对于同步加速器数据集的1098次唯一反射，F（000）= 2528，R = 0.072，wR = 0.045，S = 9.2（2）。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号