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# TITLE *Iron-Fe-[IM3-M] Swanson, H.E.;Tatge, E.[1954] [Iron alpha phase]
# CELL 2.886000 2.886000 2.886000 90.000000 90.000000 90.000000
# SPCGRP I M 3 M CUBIC STRUCTURE
# ATOM FE 1 0.000000 0.000000 0.000000
# SCATTERING FACTOR COEFFICIENTS: FE F= 0.945 CM-12
# Reference: Acta Crystallographica (1954) 7, 464-464
#
# Physical parameters:
# sigma_coh 11.22 coherent scattering cross section (single atom) in [barn]
# sigma_inc 0.4 incoherent scattering cross section (single atom) in [barn]
# sigma_abs 2.56 absorption scattering cross section (single atom) in [barn]
# density 7.87 in [g/cm^3]
# weight 55.84 in [g/mol] (single atom)
# multiplicity 2 in [atoms/unit cell]
# Vc 24.04 volume of unit cell in [A^3]
# v_sound 4910 in [m/s]
# v_sound_l 4994 velocity of longitudinal sound in [m/s]
# v_sound_t 2809 velocity of transversal sound in [m/s]
# T_m 1811 melting temperature in [K]
# T_b 3134 boiling temperature in [K]
# At_number 26 atomic number Z
# lattice_a 2.886 lattice parameter a in [Angs]
#
# Format parameters: Lazy format <http://icsd.ill.fr>
# column_j 17 multiplicity 'j'
# column_d 6 d-spacing 'd' in [Angs]
# column_F 13 norm of scattering factor |F| in [barn^0.5]
# column_h 1
# column_k 2
# column_l 3
#
# H K L THETA 2THETA D VALUE 1/D**2 SIN2*1000 H K L INTENSITY /F(HKL)/ A(HKL) B(HKL) PHA.ANG. MULT LPG
1 1 0 14.18 28.37 2.0407 0.2401 60.03 1 1 0 1000.0 1.8 1.78 0.00 0.00 12 17.18
2 0 0 20.27 40.55 1.4430 0.4803 120.06 2 0 0 229.2 1.7 1.68 0.00 0.00 6 8.88
2 1 1 25.11 50.22 1.1782 0.7204 180.09 2 1 1 561.4 1.6 1.58 0.00 0.00 24 6.13
2 2 0 29.34 58.68 1.0204 0.9605 240.13 2 2 0 194.0 1.5 1.49 0.00 0.00 12 4.78
3 1 0 33.22 66.44 0.9126 1.2006 300.16 3 1 0 286.8 1.4 1.40 0.00 0.00 24 3.98
2 2 2 36.88 73.76 0.8331 1.4408 360.19 2 2 2 73.9 1.3 1.32 0.00 0.00 8 3.47
3 2 1 40.41 80.82 0.7713 1.6809 420.22 3 2 1 354.0 1.2 1.24 0.00 0.00 48 3.13
4 0 0 43.87 87.74 0.7215 1.9210 480.25 4 0 0 36.3 1.2 1.17 0.00 0.00 6 2.89
3 3 0 47.31 94.62 0.6802 2.1611 540.28 3 3 0 60.8 1.1 1.10 0.00 0.00 12 2.73
4 1 1 47.31 94.62 0.6802 2.1611 540.28 4 1 1 121.6 1.1 1.10 0.00 0.00 24 2.73
4 2 0 50.79 101.57 0.6453 2.4012 600.31 4 2 0 104.1 1.0 1.04 0.00 0.00 24 2.63
3 3 2 54.35 108.70 0.6153 2.6414 660.34 3 3 2 91.0 1.0 0.98 0.00 0.00 24 2.60
4 2 2 58.08 116.15 0.5891 2.8815 720.38 4 2 2 81.6 0.9 0.92 0.00 0.00 24 2.63
4 3 1 62.06 124.11 0.5660 3.1216 780.41 4 3 1 150.7 0.9 0.87 0.00 0.00 48 2.73
5 1 0 62.06 124.11 0.5660 3.1216 780.41 5 1 0 75.4 0.9 0.87 0.00 0.00 24 2.73
5 2 1 71.61 143.22 0.5269 3.6019 900.47 5 2 1 152.6 0.8 0.77 0.00 0.00 48 3.52
4 4 0 78.54 157.07 0.5102 3.8420 960.50 4 4 0 50.4 0.7 0.72 0.00 0.00 12 5.24
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