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首页> 外文期刊>International Journal of Quantum Chemistry >TWO THREE-DIMENSIONAL TETRAHEDRAL FRAMEWORK ZINC PHOSPHATES WITH INFINITE ZN-O-ZN CHAINS - H[ZN-4(PO4)(3)]H2O AND [ZN-4(H2O)(PO4)(3)] NH(CH3)(3)
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TWO THREE-DIMENSIONAL TETRAHEDRAL FRAMEWORK ZINC PHOSPHATES WITH INFINITE ZN-O-ZN CHAINS - H[ZN-4(PO4)(3)]H2O AND [ZN-4(H2O)(PO4)(3)] NH(CH3)(3)

机译:具有无限ZN-O-ZN链的二维四面体骨架磷酸锌-H [ZN-4(PO4)(3)] H2O和[ZN-4(H2O)(PO4)(3)] NH(CH3)( 3)

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Two zinc phosphates materials (ZnPO-W and ZnPO-TMA), both containing infinite Zn-O-Zn chains as part of the three-dimensional framework have been prepared by hydrothermal methods and characterized by single-crystal X-ray diffraction. ZnPO-W has one six-ring channel and one eight-ring channel (six or eight refers to the number of tetrahedral atoms forming the rings) along the a-axis with water molecules in channels. ZnPO-TMA has two different eight-ring channels also along the a-axis with trimethylammonium cations located within channels. ZnPO-W was also studied with the thermogravimetry and its decomposition products at 600 and 1000 degrees C were identified with X-ray powder diffraction. Crystal data for H[Zn-4(PO4)(3)]H2O (ZnPO-W), M = 565.42, space group , a = 5.0549(9), b = 9.624(2), c = 13.158(2), alpha = 101.007(1) degrees, beta = 100.942(1) degrees, gamma = 103.606(1) degrees, V = 591.9(8) Angstrom(3), Z = 2, D-c = 3.17 gcm(-3), clear needle, MoK alpha, lambda = 0.71073 Angstrom mu = 8.68 mm(-1), 2 theta(max) = 60 degrees R = 3.56 %, wR = 3.81 %, GOF = 0.999 for 180 parameters and 3226 unique reflections with I > 3.0 sigma(I). Crystal data for [Zn-4(H2O)(PO4)(3)] NH(CH3)(3) (ZnPO-TMA), M = 624.53, space group , a = 5.304(2), b = 9.296(3), c = 15.474(5), alpha = 86.462(1) degrees, beta = 86.420(2) degrees, gamma = 78.906(2) degrees, V = 746.4(4) Angstrom(3), Z = 2, D-c = 2.78 gcm(-3), clear thin needle, MoK alpha, lambda = 0.71073 Angstrom, mu = 6.90 mm(-1), 2 theta(max) = 60 degrees, R = 5.75 %, wR = 4.07 %, GOF = 1.01 for 214 parameters and 2992 unique reflections with I > 3.0 sigma(I). (C) 1996 Academic Press,Inc. [References: 12]
机译:通过水热法制备了两种磷酸锌材料(ZnPO-W和ZnPO-TMA),它们都包含无限的Zn-O-Zn链作为三维骨架的一部分,并通过单晶X射线衍射进行了表征。 ZnPO-W沿a轴具有一个六环通道和一个八环通道(六个或八个是指形成环的四面体原子数),通道中有水分子。 ZnPO-TMA沿a轴也有两个不同的八环通道,三甲基铵阳离子位于通道内。还用热重分析法研究了ZnPO-W,并通过X射线粉末衍射鉴定了其在600和1000摄氏度下的分解产物。 H [Zn-4(PO4)(3)] H2O(ZnPO-W)的晶体数据,M = 565.42,空间群,a = 5.0549(9),b = 9.624(2) ,c = 13.158(2),alpha = 101.007(1)度,beta = 100.942(1)度,γ= 103.606(1)度,V = 591.9(8)埃(3),Z = 2,Dc = 3.17 gcm(-3),透明针,MoK alpha,λ= 0.71073埃mu = 8.68 mm(-1),2 theta(max)= 60度R = 3.56%,wR = 3.81%,GOF = 0.999(适用于180个参数) I> 3.0 sigma(I)的3226个唯一反射。 [Zn-4(H2O)(PO4)(3)] NH(CH3)(3)(ZnPO-TMA)的晶体数据,M = 624.53,空间群,a = 5.304(2 ),b = 9.296(3),c = 15.474(5),alpha = 86.462(1)度,beta = 86.420(2)度,gamma = 78.906(2)度,V = 746.4(4)埃(3) ,Z = 2,Dc = 2.78 gcm(-3),透明细针,MoK alpha,λ= 0.71073埃,mu = 6.90 mm(-1),2 theta(max)= 60度,R = 5.75%,wR = 4.07%,GOF = 1.01(214个参数)和2992个唯一反射,I> 3.0 sigma(I)。 (C)1996,学术出版社,公司。 [参考:12]

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