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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 |
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