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Crystal-fluid interactions in laumontite
Microporous and Mesoporous Materials ( IF 5.2 ) Pub Date : 2017-12-07 , DOI: 10.1016/j.micromeso.2017.12.003
Davide Comboni , G. Diego Gatta , Paolo Lotti , Marco Merlini , Michael Hanfland

The elastic behavior and the structural evolution at high pressure of a natural Ca-laumontite and Ca-leonhardite, the partially dehydrated form of Ca-laumontite, have been investigated by in situ single-crystal synchrotron X-ray diffraction up to 2.7 GPa and 7.5 GPa, respectively, using a diamond anvil cell. Despite no phase transitions have been observed within the P-range investigated, an anomalous stiffening of the structure along the b crystallographic axis occurs at about 2.1 GPa in Ca-laumontite and 2.4 GPa in Ca-leonhardite. The isothermal bulk elastic parameters of Ca-laumontite, refined by a second order Birch–Murnaghan equation of state (BM-EoS) fit, are: V0 = 1393.9(6) Å3 and KV0 = 54.8(10) GPa; whereas the isothermal bulk elastic parameters of Ca-leonhardite, refined by a third order BM-EoS fit, are: V0 = 1348(1) Å3, KV0 = 36(1) GPa and KV = 2.4(3). The hydration process, at ambient P-T conditions, of Ca-leonhardite has also been studied by means of in-situ single crystal X-ray diffraction in several H2O-based mixtures. The results show that the hydration process is influenced by the fraction of H2O in the aqueous mixtures in which leonhardite is immersed, and an almost linear correlation between the occupancy of the crystallographic W1 site and the unit-cell volume has been found. The structure deformation mechanisms that govern the compression of Ca-laumontite and Ca-leonhardite at the atomic scale, as well as those related to the hydration process of Ca-leonhardite, are described.



中文翻译:

月桂石中的晶体-流体相互作用

通过原位单晶同步加速器X射线衍射研究了高达2.7 GPa和7.5的天然Ca-月桂石和Ca-leonhardite(钙月桂石的部分脱水形式)的弹性行为和高压下的结构演化。GPa分别使用钻石砧细胞。尽管在所研究的P范围内未观察到相变,但沿b结晶轴方向的结构异常硬化发生在钙-月桂石中约2.1 GPa,钙-硬石中约2.4 GPa。钙浊沸石的等温体积弹性参数,由状态的二阶桦木-Murnaghan状态方程(BM-EOS)配合,精制为:V 0  = 1393.9(6)3K V 0  = 54.8(10)GPa; 而钙leonhardite的等温体积弹性参数,由三阶BM-EOS适合,精制为:V 0  = 1348(1)埃3ķ V 0  = 36(1)GPA和ķ V '  = 2.4(3 )。还通过在几种基于H 2 O的混合物中进行原位单晶X射线衍射研究了在环境PT条件下Ca-莱诺石的水合过程。结果表明,水合过程受H 2含量的影响。在浸没了锂铁矿的水性混合物中存在O,并且已经发现晶体学W1位点的占有率与晶胞体积之间几乎呈线性相关。描述了在原子尺度上控制钙-月桂石和钙-锂硬石压缩的结构变形机制,以及与钙-锂硬岩水合过程有关的变形机制。

更新日期:2017-12-07
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