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The crystal structure of synthetic konyaite, Na2Mg(SO4)2·5H2O, a = 5.7690(8), b = 23.951(3), c =8.0460(11) Å, β = 95.425(2)°, V = 1106.8(3) Å3, space group P21/c, Z = 4, was solved using singlecrystal X-ray diffraction. Hydrogen atom positions were determined and the structure solution was refined to R1 = 3.31% and wR2 = 6.28% for the 2167 measured independent reflections. Three distinct cation sites host the Mg and Na atoms in distorted octahedra and eight-oordinated polyhedra. The coordination polyhedra share edges to form compact sheets oriented perpendicular to b and linked to one another by hydrogen bonds. This results in a {010} tabular habit. A comparison of this structure is made to that of blödite [Na2Mg(SO4)2·4H2O], the dehydration product of konyaite. Konyaite is discussed within the context of the Na2O-MgO-SO4-H2O system. This study is part of ongoing investigations into the dehydration mechanisms and phase stability of this system |
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3楼2009-11-10 08:23:20
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通过X射线单晶衍射，解析了五水镁纳矾Na2Mg(SO4)2•5H2O合成晶体结构， a=5.7690(8)，b=23.951(3)，c=8.0460(11)Å，β=95.425(2)°，V=1106.8(3)Å 3，P21/c空间群，Z=4。对2167个反射结果的计算，氢原子的位置得以确定，结构精修到R1= 3.31%，wR2= 6.28%。Mg和Na在八面体或变形八面体晶体中有三种不同的位置。单个八面体通过氢键在取向垂直于b的边上相互连接形成紧密层，所以晶体在{010}面上有层状特性。对Na2O-MgO-SO4-H2O体系中的两种晶体，五水镁纳矾对白钠镁矾（五水镁纳矾的脱水产物）的结构做了比较。本文是正在进行的Na2O-MgO-SO4-H2O体系脱水机理和相稳定性研究的部分内容。 请帮忙修改 |
2楼2009-11-10 08:22:37
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wsht212(金币+2): 2010-04-27 22:18
seo(金币+6): 2010-05-07 21:14:18
wsht212(金币+2): 2010-04-27 22:18
seo(金币+6): 2010-05-07 21:14:18
| 通过X射线单晶衍射，解析了五水镁纳矾Na2Mg(SO4)2•5H2O合成晶体结构， a=5.7690(8)，b=23.951(3)，c=8.0460(11)Å，β=95.425(2)°，V=1106.8(3)Å 3，P21/c空间群，Z=4。对2167个反射结果的计算，氢原子的位置得以确定，结构精修到R1= 3.31%，wR2= 6.28%。Mg和Na在八面体或变形八面体晶体中有三种不同的位置。单个八面体通过氢键在取向垂直于b的边上相互连接形成紧密层，所以晶体在{010}面上有层状特性。对Na2O-MgO-SO4-H2O体系中的两种晶体，五水镁纳矾对白钠镁矾（五水镁纳矾的脱水产物）的结构做了比较。本文是正在进行的Na2O-MgO-SO4-H2O体系脱水机理和相稳定性研究的部分内容。 |
4楼2010-04-27 12:24:32