Effects of Mg and Si ions on the symmetry of δ-AlOOH

被引:14
作者
Komatsu, K. [1 ]
Sano-Furukawa, A. [2 ]
Kagi, H. [1 ]
机构
[1] Univ Tokyo, Geochem Res Ctr, Grad Sch Sci, Tokyo 1130033, Japan
[2] Japan Atom Energy Agcy, High Pressure Sci Grp, Quantum Beam Sci Directorate, Tokai, Ibaraki 3191195, Japan
关键词
delta-AlOOH; High pressure; Neutron diffraction; Symmetry; Hydrogen bond; PRESSURE HYDROUS PHASE; NEUTRON-DIFFRACTION; BOND; CRYSTAL; ISOTOPE; SYMMETRIZATION;
D O I
10.1007/s00269-011-0445-0
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We conducted powder neutron diffraction for delta-AlOOH samples with and without Mg and Si ions under ambient conditions in order to investigate the long-standing problem of the symmetry of this phase. The observed reflection conditions clearly show that the space group of pure delta-AlOOH is P(21)nm with ordered hydrogen bonds, whereas that of delta-(Al0.86Mg0.07Si0.07)OOH is Pnnm or Pnn2 with disordered hydrogen bonds. It is more likely that the space group of delta-(Al0.86Mg0.07Si0.07)OOH is Pnnm, because cation or hydrogen ordering that breaks the mirror plane perpendicular to c axis in the Pnnm structure would not occur. The previously reported inconsistency for the space group of this phase was caused by the substitution of Mg and Si ions to Al site, i.e., the disordered cations with different valences may fluctuate hydrogen positions, and the disordered hydrogen causes the symmetry change.
引用
收藏
页码:727 / 733
页数:7
相关论文
共 23 条
[1]   The shapes of protons in hydrogen bonds depend on the bond length [J].
Benoit, M ;
Marx, D .
CHEMPHYSCHEM, 2005, 6 (09) :1738-1741
[2]   Recent Developments in the Methods and Applications of the Bond Valence Model [J].
Brown, Ian David .
CHEMICAL REVIEWS, 2009, 109 (12) :6858-6919
[3]   Powder-neutron diffraction studies of geometric isotope and hydrogen-bonding effects in β-CrOOH [J].
Fujihara, T ;
Ichikawa, M ;
Gustafsson, T ;
Olovsson, I ;
Tsuchida, T .
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2002, 63 (02) :309-315
[4]   Hydrogen-bond geometry and its isotope effect in crystals with OHO bonds - revisited [J].
Ichikawa, M .
JOURNAL OF MOLECULAR STRUCTURE, 2000, 552 :63-70
[5]   Redetermination of the high-pressure modification of AlOOH from single-crystal synchrotron data [J].
Komatsu, Kazuki ;
Kuribayashi, Takahiro ;
Sano, Asami ;
Ohtani, Eiji ;
Kudoh, Yasuhiro .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2006, 62 :I216-I218
[6]   Space group and hydrogen sites of δ-AlOOH and implications for a hypothetical high-pressure form of Mg(OH)2 [J].
Kudoh, Y ;
Kuribayashi, T ;
Suzuki, A ;
Ohtani, E ;
Kamada, T .
PHYSICS AND CHEMISTRY OF MINERALS, 2004, 31 (06) :360-364
[7]  
Larson A. C., 2004, 86748 LAUR LOS AL NA
[8]   The elastic and optical properties of the high-pressure hydrous phase δ-AlOOH [J].
Li, S ;
Ahuja, R ;
Johansson, B .
SOLID STATE COMMUNICATIONS, 2006, 137 (1-2) :101-106
[9]   The crystal structure of δ-Al(OH)3: Neutron diffraction measurements and ab initio calculations [J].
Matsui, Masanori ;
Komatsu, Kazuki ;
Ikeda, Emi ;
Sano-Furukawa, Asami ;
Gotou, Hirotada ;
Yagi, Takehiko .
AMERICAN MINERALOGIST, 2011, 96 (5-6) :854-859
[10]   VESTA:: a three-dimensional visualization system for electronic and structural analysis [J].
Momma, Koichi ;
Izumi, Fujio .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2008, 41 :653-658