CAJ | 학술논문

水热法合成了新结构类型化合物CsIn[P03(0H)]2,并通过单晶X-射线衍射表征结构.标题化合物空间群为P121/c1(No.14),晶体学参数为:M=439.69,mP56,a=0.532 86(6)nm,b=0.91653(7)nm,c=1.478 39(14)nm,β=93.849(9).,V=0.7204(1)nm3,Z=4,Dx=4.054 g·cm-3,μ=8.713 mm-1,F(000)=800,R1= 0.0325,wR2=0.0874.在该化合物中,2个In06八面体和4个PO4四面体形成交连的六元环柱,并沿a轴方向形成近六方密堆积并连接成Cs+离子占据的十二元环结构隧道,六元环和十二元环连接构筑了三维网络结构.与类似化学计量比化合物Na2In2[PO3(0H)]4·H2O比较,标题化合物中十二元环的形成明显取决于隧道阳离子的大小,其拓扑构造可看作扩展的6,3-网格连接,化合物RbIn[PO3(0H)]2与之同构.
수열법합성료신결구류형화합물CsIn[P03(0H)]2,병통과단정X-사선연사표정결구.표제화합물공간군위P121/c1(No.14),정체학삼수위:M=439.69,mP56,a=0.532 86(6)nm,b=0.91653(7)nm,c=1.478 39(14)nm,β=93.849(9).,V=0.7204(1)nm3,Z=4,Dx=4.054 g·cm-3,μ=8.713 mm-1,F(000)=800,R1= 0.0325,wR2=0.0874.재해화합물중,2개In06팔면체화4개PO4사면체형성교련적륙원배주,병연a축방향형성근륙방밀퇴적병련접성Cs+리자점거적십이원배결구수도,륙원배화십이원배련접구축료삼유망락결구.여유사화학계량비화합물Na2In2[PO3(0H)]4·H2O비교,표제화합물중십이원배적형성명현취결우수도양리자적대소,기탁복구조가간작확전적6,3-망격련접,화합물RbIn[PO3(0H)]2여지동구.
A cesium indium hydrated phosphate,Csln[PO3(OH)]2,was synthesized under mild hydrothermal conditions,and the crystal structures were characterized by single crystal X-ray diffraction method.Csln[PO3(OH)]2 has a new type of crystal structure.Crystallographic data are as following:Mr=439.69,monoclinic,mP56,P1 21/c 1(No.14),a=0.532 86(6)nm,b=0.916 53(7)nm,c=1.478 39(14)nm,β=93.849(9)°,V=0.720 4(1)nm3,Z=4,Dx=4.054 g·cm-3,μ=8.713 mm-1,F(000)=800,R1=0.032 5,wR2=0.087 4 for 116 variables and 1 502 contributing unique reflections.The structure is characterized by 6-membered column with cross-section formed by two InO6 octahedra and four PO4 tetrahedra. The condensation of the column forms an almost hexagonal close-packing array along a axis, resulting in close packing of 12-membered-ring channels occupied by Cs+ cations. The connections of the columns and channels result in a three-dimensional network structure. The formation of the 12-membered ring in these structures seems clearly governed by the cation size by comparing to Na2In2[PO3(OH)]4·H2O with the similar stoichiometry. The topological construction of the title structure can be considered as an augmented 6,3-net.RbIn [PO3(OH)]2 is isotypic to the Cs compound.CSD: 391266.