Copper substitution in (Cu,Mn)7O12 braunite: A combined neutron and X-ray powder diffraction study

被引：0

作者：

Zotov, N. ^{[1
,2
]}

Miletich, R. ^{[1
,3
]}

Boysen, H. ^{[4
]}

Tietze, H. ^{[5
]}

Kockelmann, W. ^{[5
]}

机构：

[1] Bayerisches Geoinstitut, DE-95440 Bayreuth, Germany

[2] Ctrl. Lab. of Mineral. and Cristal., BAS, BU-1000 Sofia, Bulgaria

[3] Lab. für Kristallographie, ETHZ, CH-8092 Zürich, Switzerland

[4] Institut für Kristallographie, DE-80333 Munchen, Germany

[5] Rutherford Appleton Laboratory, ISIS, Chilton, Didcot OX11 0QX, United Kingdom

来源：

Materials Science Forum | 2000年 / 321卷

关键词：

Chemical bonds - Copper - Neutron diffraction - Substitution reactions - X ray diffraction analysis;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

The cation distribution in Cu-substituted braunites synthesized by solid-state reaction was investigated by the combined neutron and X-ray Rietveld refinements. The combined refinements showed that in addition to the eight-fold coordinated M1 site, a significant fraction of Cu enters the M3 site. The selective substitution of Cu only on the M3 octahedral site could be easily understood taking into account that Cu prefers strongly distorted coordination polyhedra and the M3 site has the largest octahedral distortions of all the three Mn3+ sites due to Jahn-Teller effects and electrostatic repulsion across the shared edges.

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