Refinement of the Crystal Structures of Synthetic Nickel- and Cobalt-Bearing Tourmalines

被引：13
|
作者：
Rozhdestvenskaya, I. V. [1 ]
Setkova, T. V. [2 ]
Vereshchagin, O. S. [1 ]
Shtukenberg, A. G. [1 ]
Shapovalov, Yu. B. [2 ]
机构：
[1] St Petersburg State Univ, St Petersburg 199034, Russia
[2] Russian Acad Sci, Inst Expt Mineral, Chernogolovka 142432, Moscow Oblast, Russia
来源：
CRYSTALLOGRAPHY REPORTS | 2012年 / 57卷 / 01期
基金：
俄罗斯基础研究基金会;
关键词：
OLENITE; BORON;
D O I：
10.1134/S106377451106023X
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
The crystal structures of synthetic tourmalines with a unique composition containing 3d elements (Ni, Fe, and Co) have been refined: (Ca-0.12 square(0.88))(Al1.69Ni0.812+Fe0.502+)(Al5.40Fe0.603+)(Si5.82Al0.18O18)(BO3)(3)(OH)(3.25)O-0.75 I, a = 15.897(5), c = 7.145(2) angstrom, V = 1564(1) angstrom(3); Na-0.91(Ni1.202+Cr0.963+Al0.63Fe0.182+Mg0.03)(Al4.26Ni1.202+Cr0.483+Ti0.06) (Si5.82Al0.18)O-18(BO3)(3)(OH)(3.73)O-0.27 II, a = 15.945(5), c = 7.208(2) angstrom, V = 1587(1) angstrom(3) and Na-0.35(Al1.80Co1.202+) (Al5.28Co0.662+Ti0.06)(Si5.64B0.36)O-18(BO3)(3)(OH)(3.81)O-0.19 III, a = 15.753(8), c = 7.053(3) angstrom, V = 1516(2) angstrom(3). The reliability factors are R-1 = 0.038-0.057 and wR(2) = 0.041-0.060. It is found that 3d elements occupy both Y- and Z positions in all structures. The excess positive charge is compensated for due to the incorporation of divalent oxygen anions into the O3(V)+O1(W) positions.
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页码：57 / 63
页数：7
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