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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/H2O_ice_1h.laz

    r2012 r2925  
    1 # TITLE *Ice 1h-H2O-[P63/MMC] Goto, A.;Hondoh, T.;Mae, S.[1994] [normal hexagonal Ice 1h at 243 K] 
     1# TITLE *Ice 1h-H2O-[P63/MMC] Goto, A.;Hondoh, T.;Mae, S.[1990] [normal hexagonal Ice 1h at 243 K] 
    22# CELL 4.511000 4.511000 7.346000 90.000000 90.000000 120.000000 
    33# SPCGRP P 63/M M C   HEXAGONAL STRUCTURE 
    … …  
    99# 
    1010# Physical parameters: 
    11 # sigma_coh 7.75    coherent scattering cross section in [barn] 
    12 # sigma_inc 160.52  incoherent scattering cross section in [barn] 
    13 # sigma_abs 0.6652  absorption scattering cross section in [barn] 
     11# sigma_coh 7.75    coherent scattering cross section for H2O in [barn] 
     12# sigma_inc 160.52  incoherent scattering cross section for H2O in [barn] 
     13# sigma_abs 0.6652  absorption scattering cross section for H2O in [barn] 
    1414# density   0.92    in [g/cm^3] 
    15 # weight    18.01   in [g/mol] 
    16 # nb_atoms  12      in [atoms/unit cell] 
     15# weight    18.01   in [g/mol] for H2O 
     16# multiplicity 4    in [H2O/unit cell] 
     17# Vc        129.17  volume of unit cell in [A^3] 
    1718# v_sound_l 2919    velocity of longitudinal sound in [m/s] 
    1819# v_sound_t 1788    velocity of transversal sound in [m/s]