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Timestamp:
09/06/10 16:52:23 (21 months ago)
Author:
farhi
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data: corrected unit cell definition w.r.t chemical formula, which effects cross sections in PowderN, Single X, Isotropic Sqw

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  • trunk/nlib/data/Fe_Gamma.laz

    r2920 r2925  
    1 # TITLE *-Fe-[FM3-M] Basinski, Z.S.;Hume-Rothery, W.;Sutton, A.L.[1955] [gamma phase] 
     1# TITLE *-Fe-[FM3-M] Basinski, Z.S.;Hume-Rothery, W.;Sutton, A.L.[1955] [Iron gamma phase] 
    22# CELL 3.646800 3.646800 3.646800 90.000000 90.000000 90.000000 
    3 # SPCGRP F M 3 M 
     3# SPCGRP F M 3 M  CUBIC STRUCTURE 
    44# ATOM FE 1 0.000000 0.000000 0.000000   
    55# SCATTERING FACTOR  COEFFICIENTS: FE     F= 0.945 CM-12 
    … …  
    77# 
    88# Physical parameters: 
    9 # sigma_coh 11.22   coherent scattering cross section in [barn] 
    10 # sigma_inc 0.4     incoherent scattering cross section in [barn] 
    11 # sigma_abs 2.56    absorption scattering cross section in [barn] 
     9# sigma_coh 11.22   coherent scattering cross section (single atom) in [barn] 
     10# sigma_inc 0.4     incoherent scattering cross section (single atom) in [barn] 
     11# sigma_abs 2.56    absorption scattering cross section (single atom) in [barn] 
    1212# density   8.00    in [g/cm^3] 
    13 # weight    55.84   in [g/mol] 
    14 # nb_atoms  4       in [atoms/unit cell] 
     13# weight    55.84   in [g/mol] (single atom) 
     14# multiplicity 4    in [atoms/unit cell] 
     15# Vc        49.02   volume of unit cell in [A^3] 
    1516# At_number 26      atomic number Z 
    1617# lattice_a 3.6468  lattice parameter a in [Angs]