...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Journal of Solid State Chemistry >Crystal structures of lazulite-type oxidephosphates (TiTi3O3)-Ti-III-O-IV(PO4)(3) and (M4Ti27O24)-Ti-III-O-IV(PO4)(24) (M-III = TiCr, Fe)
【24h】

Crystal structures of lazulite-type oxidephosphates (TiTi3O3)-Ti-III-O-IV(PO4)(3) and (M4Ti27O24)-Ti-III-O-IV(PO4)(24) (M-III = TiCr, Fe)

机译：天青石型氧化物磷酸盐（TiTi3O3）-Ti-III-O-IV（PO4）（3）和（M4Ti27O24）-Ti-III-O-IV（PO4）（24）的晶体结构（M-III = TiCr，Fe ）

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

Single crystals of the oxidephosphates (TiTi3O3)-Ti-III-O-IV(PO4)(3) (black), (Cr4Ti27O24)-Ti-III-O-IV(PO4)(24) (red-brown, transparent), and (Fe4Ti27O24)-Ti-III-O-IV(PO4)(24) (brown) with edge-lengths up to 0.3 mm were grown by chemical vapour transport. The crystal structures of these orthorhombic members (space group F2dd) of the lazulite/lipscombite structure family were refined from single-crystal data [(TiTi3O3)-Ti-III-O-IV(PO4)(3): Z = 24, a = 7.3261 (9)angstrom, b = 22.166(5)angstrom, c = 39.239(8)angstrom, R-1 = 0.029, wR(2) = 0.084, 6055 independent reflections, 301 variables; (Cr4Ti27O24)-Ti-III-O-IV(PO4)(24): Z =: 1, a = 7.419(3)angstrom, b = 21.640(5)angstrom, c = 13.057(4)angstrom, R-1 = 0.037, wR(2) = 0.097, 1524 independent reflections, 111 variables; (Fe4Ti27O24)-Ti-III-O-IV(PO4)(24): Z = 1, a = 7.4001(9)angstrom, b = 21.7503(2)angstrom, c = 12.775(3)degrees, R-1 = 0.049, wR(2) = 0.140, 1240 independent reflections, 112 variables). For (TiTiO3)-Ti-III-O-IV(PO4)(3) a well-ordered structure built from dimers [(Ti2O9)-O-III,IV] and [(Ti2O9)-O-IV,IV] and phosphate tetrahedra is found. The metal sites in the crystal structures of Cr4Ti27O24(PO4)(24) and Fe4Ti27O24(PO4)(24), consisting of dimers [(MTiO9)-Ti-III-O-IV] and [(Ti2O9)-O-IV,IV], monomeric [(TiO6)-O-IV] octahedra, and phosphate tetrahedra, are heavily disordered. Site disorder, leading to partial occupancy of all octahedral voids of the parent lipscombite/lazulite structure, as well as splitting of the metal positions is observed. According to Guinier photographs (Ti4Ti27O24)-Ti-III-O-IV(PO4)(24) (a = 7.418(2)angstrom, b = 21.933(6)angstrom, c = 12.948(7)angstrom) is isotypic to the oxidephosphates (M4Ti27O24)-Ti-III-O-IV(PO4)(24) (M-III: Cr, Fe). The UV/vis spectrum of Cr4Ti27O24(PO4)(24) reveals a rather small ligand-field splitting Delta o = 14,370cm(-1) and a very low nephelauxetic ratio beta = 0.72 for the chromophores [(CrO6)-O-III] within the dimers [(CrTiO9)-Ti-III-O-IV].
机译：氧化物磷酸盐的单晶（TiTi3O3）-Ti-III-O-IV（PO4）（3）（黑色），（Cr4Ti27O24）-Ti-III-O-IV（PO4）（24）（红棕色，透明） ，并通过化学蒸汽传输生长了（Fe4Ti27O24）-Ti-III-O-IV（PO4）（24）（棕色），其边缘长度最大为0.3 mm。从单晶数据[（TiTi3O3）-Ti-III-O-IV（PO4）（3）：Z = 24，a为单晶数据，精炼了天青石/唇形咬合结构族的这些正交晶体成员（空间群F2dd）的晶体结构。 = 7.3261（9）埃，b = 22.166（5）埃，c = 39.239（8）埃，R-1 = 0.029，wR（2）= 0.084，6055个独立反射，301个变量; （Cr4Ti27O24）-Ti-III-O-IV（PO4）（24）：Z =：1，a = 7.419（3）埃，b = 21.640（5）埃，c = 13.057（4）埃，R-1 = 0.037，wR（2）= 0.097，1524个独立反射，111个变量; （Fe4Ti27O24）-Ti-III-O-IV（PO4）（24）：Z = 1，a = 7.4001（9）埃，b = 21.7503（2）埃，c = 12.775（3）度，R-1 = 0.049，wR（2）= 0.140，1240个独立反射，112个变量）。对于（TiTiO3）-Ti-III-O-IV（PO4）（3），由二聚体[（Ti2O9）-O-III，IV]和[（Ti2O9）-O-IV，IV]和发现磷酸四面体。 Cr4Ti27O24（PO4）（24）和Fe4Ti27O24（PO4）（24）的晶体结构中的金属位点由[[MTiO9）-Ti-III-O-IV]和[（Ti2O9）-O-IV， [IV]，单体[（TiO6）-O-IV]八面体和磷酸盐四面体严重失调。观察到位错，导致部分占据了母唇窝/天青石结构的所有八面体空隙，以及金属位置的分裂。根据Guinier的照片（Ti4Ti27O24）-Ti-III-O-IV（PO4）（24）（a = 7.418（2）埃，b = 21.933（6）埃，c = 12.948（7）埃）与氧化物磷酸盐（M4Ti27O24）-Ti-III-O-IV（PO4）（24）（M-III：Cr，Fe）。 Cr4Ti27O24（PO4）（24）的UV / vis光谱显示，发色团[（CrO6）-O-III]的配体场分裂Δo非常小，δo = 14,370cm（-1），而极低的肾脏通气比β= 0.72。在二聚体[（CrTiO9）-Ti-III-O-IV]中。

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