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[求助] 求Muscovite-1M KAl2Si3AlO10 ( OH )2 的cif文件

*data for ICSD #4367
Coll Code 4367
Rec  Date 1986/08/08
Mod  Date 2006/10/01
Chem Name Potassium Aluminium Magnesium       phyllo-alumosilicate Hydroxide *
Structured  K Al (Mg0.2 Al0.8) (Al.42 Si3.58) O10 (O H)2
Sum       H2 Al2.22 K1 Mg0.2 O12 Si3.58
ANX       AB2C4X12
Min Name Muscovite 1M, magnesian
D(calc)    2.88
Title    Crystal structure refinement for 1M dioctahedral mica
Author(s) Sidorenko, O.V.;Zvyagin, B.B.;Soboleva, S.V.
Reference Kristallografiya
         (1975), 20(\N), 543-549
         Soviet Physics, Crystallography (= Kristallografiya)
         (1975), 20(\N), 332-335
Unit Cell 5.186 8.952 10.12 90. 101.83 90.
Vol       459.84
Z          2
Space Group C 1 2 1
SG Number 5
Cryst Sys monoclinic
Pearson    mS42
Wyckoff    c8 b a2
R Value    .109
Red Cell C  5.172 5.172 10.12 95.898 95.898 119.831 229.921
Trans Red 0.500 -0.500 0.000 / 0.500 0.500 0.000 / 0.000 0.000 1.000
Comments Mean T-O: 1.614, 1.634
         Electron diffraction (single crystal)
         Compound with mineral name: Muscovite 1M, magnesian
         The structure has been assigned a PDF number (calculated
         powder diffraction data): 01-070-1868
         The structure has been assigned a PDF number (experimental
         powder diffraction data): 21-993
         Deviation of the charge sum from zero tolerable.
         Unusual difference between calculated and measured density
         At least one temperature factor is implausible or
         meaningless but agrees with the value given in the paper.
         Position of 4 Elements of H Are Undetermined.
Atom  # OX SITE    x          y          z          SOF    H       ITF(B)
Al 1  +3 2 a 0          0.6756(11)  0             1.       0          0.62
Al 2  +3 2 a 0          0.3378(11)  0             0.8       0          0.67
Mg 1  +2 2 a 0          0.3378(11)  0             0.2       0          0.67
Al 3  +3 4 c 0.4188(18)  0.6719(11)  0.2697(9)    0.04    0          0.12
Si 1  +4 4 c 0.4188(18)  0.6719(11)  0.2697(9)    0.96    0          0.12
Al 4  +3 4 c 0.4207(18)  0.3290(11)  0.2690(9)    0.17    0          0.17
Si 2  +4 4 c 0.4207(18)  0.3290(11)  0.2690(9)    0.83    0          0.17
K 1  +1 2 b 0.5       0.0008(8) 0.5          1.       0          0.26
O 1  -2 4 c 0.4061(30)  0.0141(17)  0.1048(15)    1.       H1          0.35
O 2  -2 4 c 0.3476(30)  0.6969(17)  0.1070(15)    1.       0          0.37
O 3  -2 4 c 0.3485(30)  0.3156(17)  0.1082(15)    1.       0          0.29
O 4  -2 4 c 0.4841(30)  0.5003(17)  0.3161(15)    1.       0          0.38
O 5  -2 4 c 0.180(3) 0.7302(17)  0.3308(15)    1.       0          0.68
O 6  -2 4 c 0.1634(30)  0.2784(17)  0.3383(15)    1.       0          0.32
*end for ICSD #4367

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