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zlin榮譽(yù)版主 (知名作家)
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[求助]
求助繪制插層化合物(Mg0.667Al0.333) (OH)2 (CO3)0.167(H2O)0.5的晶體圖
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鋰電資源共享 | 粘土礦物材料 | 科研工具與教程-wfvvk |

鐵蟲 (小有名氣)
鐵蟲 (小有名氣)
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data for ICSD #81963 Coll Code 81963 Rec Date 1999/11/30 Chem Name Magnesium Aluminium Hydroxide Carbonate Hydrate (0.67/0.33/2/0.17/0.5) Structured (Mg0.667 Al0.333) (O H)2 (C O3)0.167 (H2 O)0.5 Sum C0.167 H3 Al0.333 Mg0.667 O3.001 ANX AB6X18 Min Name Hydrotalcite D(calc) 2.13 Title A reexamination of hydrotalcite crystal chemistry Author(s) Bellotto, M.;Rebours, B.;Clause, O.;Lynch, J.;Bazin, D.;Elkaim, E. Reference Journal of Physical Chemistry (1996), 100, 8527-8534 Unit Cell 3.0460(1) 3.0460(1) 22.7720(20) 90. 90. 120. Vol 182.98 Z 3 Space Group R -3 m H SG Number 166 Cryst Sys trigonal/rhombohedral Pearson hR7 Wyckoff h c2 a R Value 0.089 Red Cell RH 3.046 3.046 7.791 78.728 78.728 60 60.992 Trans Red 1.000 0.000 0.000 / 1.000 1.000 0.000 / 0.667 0.333 0.333 Comments Compound with mineral name: Hydrotalcite The structure has been assigned a PDF number (calculated powder diffraction data): 01-089-0460 Rietveld profile refinement applied Temperature factors available Structure type : Hydrotalcite X-ray diffraction (powder) Atom # OX SITE x y z SOF H ITF(U) Mg 1 +2 3 a 0 0 0 0.667 0 0.0227(5) Al 1 +3 3 a 0 0 0 0.333 0 0.0227(5) O 1 -2 6 c 0 0 0.37634(9) 1. 0 0.0385(8) H 1 +1 6 c 0 0 0.418(1) 1. 0 0.084(7) O 2 -2 18 h 0.1058(7) 0.8942(7) 0.5 0.1667 0 0.029(2) C 1 +4 6 c 0.3333 0.6667 0.5 0.0833 0 0.084(7) H 2 +1 6 c 0.3333 0.6667 0.5 0.5 0 0.084(7) Std. Notes Transformation Method: Tidy Std. Cell 3.046 3.046 22.772 90 90 120 Std. Vol. 182.97 Std. Z 3 Std. SG R3-MH Std. Atom Atom # OX SITE x y z SOF Mg 1 +2 3 a 0 0 0 0.667 Al 1 +3 3 a 0 0 0 0.333 O 1 -2 6 c 0 0 .37634 1. H 1 +1 6 c 0 0 .41800 1. O 2 -2 18 h .43913 .56087 .16667 0.166700 C 1 +4 6 c 0 0 .16667 0.0833 H 2 +1 6 c 0 0 .16667 0.5 *end for ICSD #81963 這是數(shù)據(jù),我畫畫試試 |
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