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首页> 外文期刊>Crystallography reports >Crystal Structure of a New Synthetic Calcium Pentaborate, Ca-2[B5O8(OH)](2) center dot [B(OH)(3)] center dot H2O, and Modular Crystal Chemistry of Pentaborates with Polar Boron-Oxygen Layers
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Crystal Structure of a New Synthetic Calcium Pentaborate, Ca-2[B5O8(OH)](2) center dot [B(OH)(3)] center dot H2O, and Modular Crystal Chemistry of Pentaborates with Polar Boron-Oxygen Layers

机译：一种新的五羧酸合成钙，Ca-2 [B5O8（OH）]（2）中心点[B（OH）（3）]中心点H2O的晶体结构以及具有极性硼氧层的五价硼酸盐的模块化晶体化学

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摘要

The crystal structure of a new calcium pentaborate, Ca-2[B5O8(OH)](2) B(OH)(3) center dot H2O, synthesized the hydrothermal method, has been determined (a = 6.6620(4) angstrom, b = 6.5990(4) angstrom, c = 10.5830(6) angstrom, alpha = 103.372(5)degrees, beta = 78.296(5)degrees, gamma = 120.931(7)degrees, space group P1, Z = 1; R-1 = 0.0712 for 4263 reflections with I > 2 sigma (I)). This structure is built up of three-layer stacks isolated from each other and consisting of Ca (Sr, Ba) polyhedra joined into columns with boron-oxygen networks located on both sides. Building blocks of the network are the pentaborate groups [(B2B3O8)-B-t-O-Delta(OH)](2) formed by two boron tetrahedra and three boron triangles. A comparative crystal chemical analysis has been performed for divalent metal pentaborates that have similar compositions and structures. A common fundamental building block {M[B5O8(OH)]}(2) center dot {[B(OH)(3)], H2O}(2) (M = Ca, Sr, Ba) is determined. The diversity of mineral species in the subgroup of pentaborates under consideration is associated both with the variations in the composition and symmetry of individual blocks and with the types of their joining in the structure.
机译：确定了水热法合成的新五硼酸钙Ca-2 [B5O8（OH）]（2）B（OH）（3）中心点H2O的晶体结构（a = 6.6620（4）埃，b = 6.5990（4）埃，c = 10.5830（6）埃，alpha = 103.372（5）度，beta = 78.296（5）度，γ= 120.931（7）度，空间群P1，Z = 1; R-1对于4263次反射（I> 2 sigma（I））= 0.0712。该结构由彼此隔离的三层堆栈组成，由三层堆叠的Ca（Sr，Ba）组成，两面都带有位于两侧的硼-氧网络。该网络的构建模块是由两个硼四面体和三个硼三角形形成的五官能团[（B2B3O8）-B-t-O-Delta（OH）]（2）。已经对具有相似组成和结构的二价金属五价硼酸盐进行了比较晶体化学分析。确定共同的基本构造块{M [B5O8（OH）]}（2）中心点{[B（OH）（3）]，H2O}（2）（M = Ca，Sr，Ba）。所考虑的五价硼酸盐亚组中矿物种类的多样性与单个块的组成和对称性的变化以及它们在结构中的结合类型有关。

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