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jcajcazhzh至尊木虫 (知名作家)
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[求助]
求水滑石类型的CIF
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jcajcazhzh: 金币+2, ★有帮助 2013-05-06 17:54:23
jcajcazhzh: 金币+2, ★有帮助 2013-05-06 17:54:23
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*data for ICSD #6296 Coll Code 6296 Rec Date 1986/08/06 Mod Date 2006/10/01 Chem Name Tetramagnesium Dialuminium Dodecahydroxide Carbonate Trihydrate Structured ((Mg4 Al2) (O H)12 (C O3) (H2 O)3)0.5 Sum C0.5 H9 Al1 Mg2 O9 ANX AB6X18 Min Name Hydrotalcite D(calc) 2.12 Title Die Struktur des Hydrotalkits Author(s) Allmann, R.;Jepsen, H.P. Reference Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-) (1969), 1969, 544-551 Unit Cell 3.054(3) 3.054(3) 22.81(2) 90. 90. 120. Vol 184.24 Z 1 Space Group R -3 m H SG Number 166 Cryst Sys trigonal/rhombohedral Pearson hR7 Wyckoff h c2 a R Value .074 Red Cell RH 3.054 3.054 7.805 78.717 78.717 60 61.415 Trans Red 1.000 0.000 0.000 / 1.000 1.000 0.000 / 0.667 0.333 0.333 Comments AE of main layer: (Mg, Al): (O H)6; O1: ((Mg, Al)3 H; disordered interlayer: (C O3).167 (H2 O).5 Compound with mineral name: Hydrotalcite The structure has been assigned a PDF number (calculated powder diffraction data): 01-070-2151 The structure has been assigned a PDF number (experimental powder diffraction data): 14-191 Structure type prototype : Hydrotalcite Structure type : Hydrotalcite X-ray diffraction from single crystal Position of 3 Elements of H Are Undetermined. Atom # OX SITE x y z SOF H Mg 1 +2 3 a 0 0 0 0.6667 0 Al 1 +3 3 a 0 0 0 0.3333 0 O 1 -2 6 c 0 0 0.3771(5) 1. 0 H 1 +1 6 c 0 0 0.4144(86) 1. 0 O 2 -2 18 h 0.092(25) -0.092(25) 0.5 0.167 0 C 1 +4 6 c 0 0 0.167 0.083 0 Lbl Type B11 B22 B33 B12 B13 B23 Mg1 Mg2+ 1.47(31) 1.47(31) 1.76(27) 0.73(16) 0 0 Al1 Al3+ 1.47(31) 1.47(31) 1.76(27) 0.73(16) 0 0 O1 O2- 2.40(59) 2.40(59) 1.89(44) 1.20(30) 0 0 H1 H1+ 3.02 3.02 2.08 1.51 0 0 O2 O2- 11.00(55) 11.00(55) 2.03(90) 6.80(31) 0 0 C1 C4+ 6.04 6.04 2.08 3.02 0 0 *end for ICSD #6296 |
2楼2013-05-05 15:35:05