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首页> 外文期刊>Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics >Crystal structure of a new form of Cs(B_5O_6(OH)_4).2H_2O and thermal behavior of M(B_5O_6(OH)_4).2H_2O (M=Cs, Rb, Tl)
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Crystal structure of a new form of Cs(B_5O_6(OH)_4).2H_2O and thermal behavior of M(B_5O_6(OH)_4).2H_2O (M=Cs, Rb, Tl)

机译：一种新形式的Cs（B_5O_6（OH）_4）.2H_2O的晶体结构和M（B_5O_6（OH）_4）.2H_2O的热行为（M = Cs，Rb，Tl）

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The crystal structure of a new synthetic borate, beta-Cs(B_5O_6(OH)_4).2H_2O, was determined from single crystal X-ray diffraction data. The compound is monoclinic, space group C2/c; the unite cell parameters are a=8.160(2) A, b=12.140(2) A, c=11.860(2) A, beta=93.00(3) deg; Z=4. The crystal structure was resolved from 1188 reflections until R_1=0.0408; it contains isolated (B_5O_6(OH)_4)~- polyanions separated by free water molecules and Cs~+ cations. The cohesion of the structure comes from the hydrogen bonds existing between the water molecules and the polyborate anions. The dehydration of three M(B_5O_6(OH)_4).2H_2O borates (M=Cs, Rb, Tl) and the transitions of anhydrous MB_5O_8 compounds (M=Cs, Rb, Tl) were investigated by temperature-resolved X-ray diffraction and thermal analysis. Whatever M~+ ions (M=Cs, Rb, Tl), the thermal behavior of M(B_5O_6(OH)_4).2H_2O compounds can be summarized in two steps. The first step corresponds to a loss of four water molecules and leads to an amorphous phase due to the collapsing of the hydrated pentaborate structure. In a second step, the amorphous phase crystallizes and transforms into two (M=Tl), three (M=Rb) or four (M=Cs) anhydrous phases. All these phases are characterized by X-ray powder diffraction; unit cell parameters were determined for almost all of them.
机译：从单晶X射线衍射数据确定了一种新的合成硼酸盐β-Cs（B_5O_6（OH）_4）.2H_2O的晶体结构。该化合物是单斜的，空间群为C2 / c;单元格参数为a = 8.160（2）A，b = 12.140（2）A，c = 11.860（2）A，beta = 93.00（3）deg; Z = 4。从1188次反射直到R_1 = 0.0408为止，解析了晶体结构。它包含被游离水分子和Cs〜+阳离子隔开的（B_5O_6（OH）_4）〜-聚阴离子。结构的凝聚力来自水分子和多硼酸根阴离子之间存在的氢键。通过温度分辨X射线衍射研究了三种M（B_5O_6（OH）_4）.2H_2O硼酸盐（M = Cs，Rb，Tl）的脱水和无水MB_5O_8化合物的转变（M = Cs，Rb，Tl）和热分析。无论M〜+离子（M = Cs，Rb，Tl）如何，M（B_5O_6（OH）_4）.2H_2O化合物的热行为都可以分两步进行总结。第一步对应于四个水分子的损失，并由于水合五硼酸盐结构的塌陷而导致形成非晶相。在第二步骤中，非晶相结晶并转变成两个（M = Tl），三个（M = Rb）或四个（M = Cs）无水相。所有这些相的特征在于X射线粉末衍射。几乎所有参数都确定了晶胞参数。

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