KYHP3O10: Rietveld refinement using X-ray powder diffraction data and Raman study of the conductivity phase transition
作者:N. Zouari、A. Hadrich、T. Mhiri、A. Daoud、P. Gravereau
DOI:10.1016/s0022-2860(01)00480-x
日期:2002.2
and γ =82.344(2)°; Z =2. This structure has been refined from X-ray powder diffraction data using the Rietveld method, with the isostructural compounds KSmHP 3 O 10 and NH 4 BiHP 3 O 10 as the starting model. Refinement of 70 parameters by the Rietveld method, using 2447 reflections, led to cR wp =0.138, cR p =0.104 and R B =0.041. This compound is a chain-based structure. The K + and Y 3+ cations are
摘要 三磷酸氢钇 (KYHP 3 O 10 ) 在室温下在三斜晶系 P 1 中结晶,其参数如下: a =6.8522(2), b =7.6254(2), c=8.5351(2) A , α = 106.658(1), β =106.435(2) 和 γ =82.344(2)°;Z = 2。该结构已使用 Rietveld 方法从 X 射线粉末衍射数据中提炼出来,同构化合物 KSmHP 3 O 10 和 NH 4 BiHP 3 O 10 作为起始模型。通过 Rietveld 方法细化 70 个参数,使用 2447 次反射,导致 cR wp =0.138、cR p =0.104 和 RB =0.041。该化合物是链式结构。K + 和 Y 3+ 阳离子嵌入在链之间,由 (HP 3 O 10 4- ) 基团通过 OH⋯O 氢键沿 c 轴连接而成。钇原子处于八重配位,并且还构建了与 a 轴平行的边缘共享