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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Synthesis and characterization of the barium oxalates BaC2O4 center dot 0.5H(2)O, alpha-BaC2O4 and beta-BaC2O4
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Synthesis and characterization of the barium oxalates BaC2O4 center dot 0.5H(2)O, alpha-BaC2O4 and beta-BaC2O4

机译：草酸钡BaC2O4中心点0.5H（2）O，α-BaC2O4和β-BaC2O4的合成与表征

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The synthesis of BaC2O4.0.5H(2)O and its thermal decomposition to alpha-BaC2O4 and beta-BaC2O4 was investigated. BaC2O4.0.5H(2)O is precipitated at room temperature from aqueous solutions of barium chloride and ammonium oxalate. The deuterated compound BaC2O4.0.5D(2)O was made in analogy with D2O as the solvent. The compounds were characterized by X-ray and neutron diffraction analysis. Single-crystal X-ray diffraction of BaC2O4.0.5H(2)O measured at 120 K gave the triclinic cell a = 8.692 (1), b = 9.216 (1), c = 6.146 (1) Angstrom, alpha = 95.094 (3), beta = 95.492 (3), gamma = 64.500 (3)degrees, space group P (1) over bar, Z = 4. Two independent Ba atoms are each coordinated to nine O atoms at distances from 2.73 (1) to 2.99 (1) Angstrom. One of the two oxalate ions deviates significantly from planarity. The water molecule does form weak hydrogen bonds. In situ X-ray powder diffraction was used to study the thermal decomposition of BaC2O4.0.5H(2)O and the formation of alpha-BaC2O4. The X-ray powder pattern of alpha-BaC2O4 measured at 473 K was indexed on a triclinic cell with a = 5.137 (3), b = 8.764 (6), c = 9.006 (4) Angstrom, alpha = 83.57 (4), beta = 98.68 (5), gamma = 99.53 (5)degrees, and the space group P (1) over bar with Z = 4. [References: 17]
机译：研究了BaC2O4.0.5H（2）O的合成及其热分解为α-BaC2O4和β-BaC2O4。 BaC2O4.0.5H（2）O在室温下从氯化钡和草酸铵的水溶液中沉淀出来。类似于D 2 O作为溶剂制备氘代化合物BaC 2 O 4 .0.5D（2）O。通过X射线和中子衍射分析对化合物进行表征。 BaC2O4.0.5H（2）O的单晶X射线衍射在120 K下测得三斜晶胞a = 8.692（1），b = 9.216（1），c = 6.146（1）埃，alpha = 95.094（ 3），β= 95.492（3），伽马= 64.500（3）度，空间组P（1）超过条形，Z =4。两个独立的Ba原子在距2.73（1）至2.99（1）埃。两个草酸根离子之一明显偏离平面度。水分子确实形成弱氢键。原位X射线粉末衍射用于研究BaC2O4.0.5H（2）O的热分解和α-BaC2O4的形成。在a = 5.137（3），b = 8.764（6），c = 9.006（4）埃，alpha = 83.57（4），在三斜晶胞上​​对在473 K下测得的α-BaC2O4的X射线粉末图进行索引beta = 98.68（5），gamma = 99.53（5）度，并且空间组P（1）在Z = 4上的条形之上。[参考：17]

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