Balance, uniformity, and asymmetry of the structure of volborthite Cu3(OH)2(V2O7)•2H2O

被引：5
|
作者：
Kashaev, A. A. [1 ]
Rozhdestvenskaya, I. V. [2 ]
Bannova, I. I. [2 ]
Sapozhnikov, A. N. [3 ]
Glebova, O. D. [4 ]
机构：
[1] Irkutsk State Railway Univ, Irkutsk, Russia
[2] St Petersburg State Univ, St Petersburg, Russia
[3] Russian Acad Sci, AP Vinogradov Inst Geochem, Siberian Div, Irkutsk 664003, Russia
[4] Irkutsk State Pedag Univ, Irkutsk, Russia
来源：
JOURNAL OF STRUCTURAL CHEMISTRY | 2008年 / 49卷 / 04期
关键词：
volborthite structure; Cu-octahedra; V-tetrahedra; structure balance; structural homogeneity; hydrogen bond;
D O I：
10.1007/s10947-008-0098-0
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
Four structural models of volborthite Cu(3)(OH)(2)(V(2)O(7))center dot 2H(2)O (a = 10.646(2) angstrom, b = 5.867(1) angstrom, c = 14.432(2) angstrom, beta = 95.19(1), V = 897.7(5) angstrom(3), Z = 4, R/R(w) = 0.038/0.046) calculated in the space groups determined from the systematic absences are compared. Based on the structure balance and the similarity of constituting polyhedra, values of the R factor, and isotropic thermal parameters, the space group Ia is found to be preferable, which is the only possible asymmetric and uniform variant. Hydrogen atoms of OH-groups, oxygen atoms and, partially, hydrogen atoms of water are localized.
引用
收藏
页码：708 / 711
页数：4
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