Stitzer Katharine E, El Abed Ahmed, Darriet Jacques, zur Loye Hans-Conrad
Department of Chemistry and Biochemistry, University of South Carolina, Columbia, South Carolina 29208, USA.
J Am Chem Soc. 2004 Jan 28;126(3):856-64. doi: 10.1021/ja0374271.
Single crystals of two new barium rhodates were grown from a molten potassium carbonate flux. The new rhodates, Ba(11)Rh(10)O(30) and Ba(32)Rh(29)O(87), are structurally related to the 2H-hexagonal perovskite structure and are characterized by pseudo one-dimensional chains of alternating face-sharing trigonal prisms and octahedra. The structures of Ba(11)Rh(10)O(30) and Ba(32)Rh(29)O(87) were solved using the 4D superspace group approach in Jana2000. Ba(11)Rh(10)O(30), with a repeat of nine RhO(6) octahedra followed by one RhO(6) trigonal prism, contains the longest chain sequence of face-sharing octahedra known for this 2H-perovskite related family of oxides. A structural analysis of these two compounds revealed clear trends in metal-metal distances and octahedral heights not previously identified for this family of oxides. The application of these trends toward the structure of the all-octahedra-containing end member of the structural series, the hypothetical 2H-BaRhO(3), enabled a prediction of its rhodium-rhodium distance, octahedral height, and lattice parameters.
两种新型铑酸钡单晶是从熔融的碳酸钾助熔剂中生长出来的。新型铑酸盐Ba(11)Rh(10)O(30)和Ba(32)Rh(29)O(87)在结构上与2H-六方钙钛矿结构相关，其特征是由交替共面的三角棱柱和八面体组成的准一维链。Ba(11)Rh(10)O(30)和Ba(32)Rh(29)O(87)的结构是使用Jana2000中的4D超空间群方法解析的。Ba(11)Rh(10)O(30)以九个RhO(6)八面体后跟一个RhO(6)三角棱柱为重复单元，包含了这个与2H-钙钛矿相关的氧化物家族中已知的最长的共面八面体链序列。对这两种化合物的结构分析揭示了此前该氧化物家族未发现的金属-金属距离和八面体高度的明显趋势。将这些趋势应用于结构系列中全八面体端元成员（假设的2H-BaRhO(3)）的结构，能够预测其铑-铑距离、八面体高度和晶格参数。
