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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/Ge.laz

    r2012 r2925  
    11# TITLE *-Ge-[FD3-MS] Cooper, A.S.[1983] [irritant] 
    2 # CELL 5.656750 5.656750 5.656750 90.000000 90.000000 90.000000 
     2# CELL 5.657906 5.657906 5.657906 90.000000 90.000000 90.000000 
    33# SPCGRP F D 3 M   CUBIC STRUCTURE 
    44# ATOM GE 1 0.000000 0.000000 0.000000 
    … …  
    77# 
    88# Physical parameters: 
    9 # sigma_coh 8.42    coherent scattering cross section in [barn] 
    10 # sigma_inc 0.18    incoherent scattering cross section in [barn] 
    11 # sigma_abs 2.2     absorption scattering cross section in [barn] 
     9# sigma_coh 8.42    coherent scattering cross section (single atom) in [barn] 
     10# sigma_inc 0.18    incoherent scattering cross section (single atom) in [barn] 
     11# sigma_abs 2.2     absorption scattering cross section (single atom) in [barn] 
    1212# density   5.323   in [g/cm^3] 
    13 # weight    72.64   in [g/mol] 
    14 # nb_atoms  16      in [atoms/unit cell] 
     13# weight    72.64   in [g/mol] (single atom) 
     14# multiplicity 8    in [atoms/unit cell] 
     15# Vc        181.12  volume of unit cell in [A^3] 
    1516# v_sound   5400    in [m/s] 
    1617# T_m       1211.4  melting temperature in [K] 
    1718# T_b       3093    boiling temperature in [K] 
    1819# At_number 32      atomic number Z 
    19 # lattice_a 5.65675 lattice parameter a in [Angs] 
     20# lattice_a 657906 lattice parameter a in [Angs] 
    2021# 
    2122# Format parameters: Lazy format <http://icsd.ill.fr>