首页> 外文期刊>International Journal of Quantum Chemistry >Two new octahedral/pyramidal frameworks containing both cation channels and lone-pair channels: syntheses and structures of (Ba2MnMn2II)-Mn-II(SeO3)(6) and PbFe2(SeO3)(4)
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Two new octahedral/pyramidal frameworks containing both cation channels and lone-pair channels: syntheses and structures of (Ba2MnMn2II)-Mn-II(SeO3)(6) and PbFe2(SeO3)(4)

机译:两个同时包含阳离子通道和孤对通道的八面体/金字塔骨架:(Ba2MnMn2II)-Mn-II(SeO3)(6)和PbFe2(SeO3)(4)的合成和结构

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The hydrothermal syntheses, single crystal structures, and some properties of (Ba2MnMn2III)-Mn-II (SeO3)(6) and PbFe2(SeO3)(4) are reported. These related phases contain three-dimensional frameworks of vertex (FeO6) and vertex/edge linked (MnO6) octahedra and SeO3 pyramids. In each case, the MO6/SeO3 framework encloses two types of 8 ring channels, one of which encapsulates the extra-framework cations and one of which provides space for the Se-IV lone pairs. Crystal data: Ba-2,Mn-3(SeO3)(6), M-r = 1201.22, monoclinic, P2(1)/c (No. 14), a = 5.4717 (3)Angstrom, b = 9.0636 (4)Angstrom, c = 17.6586 (9)Angstrom, beta = 94.519 (1)degrees, V = 873.03 (8)Angstrom(3), Z = 2, R(F) = 0.031, wR(F-2) = 0.070; PbFe2(SeO3)(4), M-r = 826.73, triclinic, P1 (No. 2), a = 5.2318 (5)Angstrom, b = 6.7925 (6)Angstrom, c = 7.6445 (7)Angstrom, alpha = 94.300 (2)degrees, beta = 90.613 (2)degrees, gamma = 95.224 (2)degrees, V= 269.73 (4)Angstrom(3), Z = 1, R(F) = 0.051, wR(F-2) = 0.131. (C) 2004 Elsevier Inc. All rights reserved.
机译:报道了(Ba2MnMn2III)-Mn-II(SeO3)(6)和PbFe2(SeO3)(4)的水热合成,单晶结构和一些性质。这些相关阶段包含顶点(FeO6)和顶点/边缘链接(MnO6)八面体和SeO3金字塔的三维框架。在每种情况下,MO6 / SeO3框架都包含两种类型的8个环形通道,其中一种封装了额外的骨架阳离子,而另一种则为Se-IV孤对提供了空间。晶体数据:Ba-2,Mn-3(SeO3)(6),Mr = 1201.22,单斜晶系,P2(1)/ c(第14号),a = 5.4717(3)埃,b = 9.0636(4)埃,c = 17.6586(9)埃,β= 94.519(1)度,V = 873.03(8)埃(3),Z = 2,R(F)= 0.031,wR(F-2)= 0.070; PbFe2(SeO3)(4),Mr = 826.73,三斜晶系,P1(2号),a = 5.2318(5)埃,b = 6.7925(6)埃,c = 7.6445(7)埃,alpha = 94.300(2 )度,β= 90.613(2)度,γ= 95.224(2)度,V = 269.73(4)埃(3),Z = 1,R(F)= 0.051,wR(F-2)= 0.131。 (C)2004 Elsevier Inc.保留所有权利。

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