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Jacklee0601

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junjiezhang

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2Â¥2017-03-30 16:54:38
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tianya95

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*data for   ICSD #18189
Coll Code   18189
Rec  Date   1980/01/01
Mod  Date   1999/06/02
Chem Name   Sodium Chloride
Structured  Na Cl
Sum         Cl1 Na1
ANX         AX
Min Name    Halite
D(calc)     2.19
Title       Accuracy of an automatic diffractometer. Measurement of the sodium
            chloride structure factors
Author(s)   Abrahams, S.C.;Bernstein, J.L.
Reference   Acta Crystallographica (1,1948-23,1967)
            (1965), 18, 926-932
Unit Cell   5.62 5.62 5.62 90. 90. 90.
Vol         177.5
Z           4
Space Group F m -3 m
SG Number   225
Cryst Sys   cubic
Pearson     cF8
Wyckoff     b a
R Value     .022
Red Cell    F  3.973 3.973 3.973 60 60 60 44.376
Trans Red   0.500 0.500 0.000 / 0.000 0.500 0.500 / 0.500 0.000 0.500
Comments    other crystals measured with B's: 1.91(16), 1.48(13),
            R=0.044, and 1.588(23), 1.295(17), R=0.026
            Compound with mineral name: Halite
            The structure has been assigned a PDF number (calculated
            powder diffraction data): 01-072-1668
            The structure has been assigned a PDF number (experimental
            powder diffraction data): 5-628
            Structure type : NaCl
            X-ray diffraction from single crystal
Atom  #   OX   SITE      x           y           z           SOF      H        ITF(B)   
Na   1  +1    4 a   0           0           0              1.         0       1.689(24)
Cl   1  -1    4 b   0.5         0.5         0.5            1.         0       1.357(17)
*end for    ICSD #18189
3Â¥2017-04-06 12:57:00
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