Relationship between cation substitution and hydrogen-bond system in hydrous pyroxenoids with three-periodic single-chain of SiO4 tetrahedra: pectolite, murakamiite, marshallsussmanite, serandite and tanohataite.
Relationship between cation substitution and hydrogen-bond system in hydrous pyroxenoids with three-periodic single-chain of SiO4 tetrahedra: pectolite, murakamiite, marshallsussmanite, serandite and tanohataite.
复制标题
SiO4四面体三周期单链水辉石中阳离子取代与氢键体系的关系：针辉石、村拉石、马苏斯曼石、蛇纹石和塔哈辉石。
DOI：
10.1127/ejm/2018/0030-2744
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发表时间：
2018
影响因子：
2.1
通讯作者：
T.
中科院分区：
文献类型：
--
作者：
Nagashima;M.;Imaoka;T.;Fukuda;C. and Pettke;T.
通过化学和X射线单晶结构分析，研究了具有三个SiO 4四面体组成的扭曲链的含水辉石中阳离子取代与氢键体系的关系。研究了具有共同晶体化学式M3（Me 1+）M1，M2（Me 2+）2[Si 3 O 8（OH）]，Me 1 += Na，Li，Me 2 += Ca，Mn，Mg的矿物，包括针钠闪石、含锂针钠闪石、紫帘石、针钠闪石、绢云母和田诺哈特石。在pectolite和murakamiite两个结构上独立的八面体配位的网站（M1和M2）被钙占据。在水铝硅线石、绢云母和钽铁矿中，M1和M2的位置分别为M1 [Ca0.764（7）Mn0.236]M2[Mn0.910（8）Ca0.090]、M1[Mn0.758（4）Ca0.242]M2[Mn1.0]和M1 [Mn0.87（2）Ca0.13]M2[Mn0.943（9）Mg0.057]。Ca和Mn的含量主要影响和距离，因此晶胞参数。α、B和c维随Ca含量线性增加。此外，M3处的高Li浓度减小了电池尺寸。在M3处掺入较小的Li+离子以用于较大的Na+离子，由于原子位置的移动而修改配位多面体，并且其降低了M3的配位数。O3和O 4上的氧原子是羟基的主体，两个氧位点都可以作为氢键的供体和受体。随着Mn含量的增加，O3-O 4距离从2.487（3）μ m降低到2.447（7）μ m。短的O_3-O_4距离也促进了无序的氢键。具有三周期单链SiO 4四面体的辉石中的氢键系统取决于（1）M3位上Na和Li的位置和（2）O3提升O 4的距离。
Relationships between cation substitution and hydrogen-bond system in hydrous pyroxenoids with a twisted chain consisting of three SiO4tetrahedra are investigated by means of chemical and X-ray single-crystal structural analysis. Minerals with the common crystal-chemical formulaM3(Me1+)M1,M2(Me2+)2[Si3O8(OH)],Me1+= Na, Li andMe2+= Ca, Mn, Mg, comprising pectolite, Li-bearing pectolite, murakamiite, marshallsussmanite, serandite, and tanohataite were studied. In pectolite and murakamiite two structurally independent octahedrally coordinated sites (M1 and M2) are occupied by Ca. In marshallsussmanite, serandite, and tanohataite, the site occupancies at M1 and M2 areM1[Ca0.764(7)Mn0.236]M2[Mn0.910(8)Ca0.090],M1[Mn0.758(4)Ca0.242]M2[Mn1.0], andM1[Mn0.87(2)Ca0.13]M2[Mn0.943(9)Mg0.057], respectively. The Ca and Mn contents primarily influence and distances and hence the unit-cell parameters. Thea,b, andcdimensions increase linearly with Ca content. Moreover, high Li concentration at M3 reduces the cell dimensions. The incorporation of smaller Li+ions for larger Na+ions at M3 modifies the coordination polyhedron due to the shift of the atomic position, and it decreases the coordination number of M3. The oxygen atoms at O3 and O4 host the hydroxyl group, and both oxygen sites may act as donor and acceptor of the hydrogen bond. With increasing Mn content the O3···O4 distance reduces from 2.487(3) Å in murakamiite to 2.447(7) Å in tanohataite. A short O3···O4 distance also facilitates disordered hydrogen bonds. The hydrogen-bond system in pyroxenoids with three-periodic single-chain of SiO4tetrahedra depends on (1) the Na and Li position at the M3 site and (2) the O3···O4 distance.