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# TITLE *Bromellite-BeO-[P63MC] Xu, Y.-N.;Ching, W.Y.[1993] [Bromellite, extremelly stable, very toxic]
# CELL 2.698000 2.698000 4.380000 90.000000 90.000000 120.000000
# SPCGRP P 63 M C HEXAGONAL STRUCTURE
# ATOM BE 1 -0.333300 -0.666700 0.000000
# ATOM O 1 -0.333300 -0.666700 0.378000
# SCATTERING FACTOR COEFFICIENTS: BE F= 0.779 CM-12; O F= 0.581 CM-12
# Reference: Physical Review, Serie 3. B - Condensed Matter (1993) 48, 4335-4351
#
# Physical parameters:
# sigma_coh 11.85 coherent scattering cross section for BeO in [barn]
# sigma_inc 0.003 incoherent scattering cross section for BeO in [barn]
# sigma_abs 0.008 absorption scattering cross section for BeO in [barn]
# density 3.01 in [g/cm^3]
# weight 25.01 in [g/mol] for BeO
# multiplicity 2 in [BeO/unit cell]
# Vc 27.61 volume of unit cell in [A^3]
# T_m 2650 melting temperature in [K]
# T_b 3243 boiling temperature in [K]
# lattice_a 2.9508 lattice parameter a in [Angs]
# lattice_c 4.6855 lattice parameter c in [Angs]
# lattice_cc 120 lattice angle gamma in [deg]
#
# Format parameters: Crystallographica format
# column_j 4 multiplicity 'j'
# column_d 5 d-spacing 'd' in [Angs]
# column_F2 7 norm of scattering factor |F|^2 in [fm^2]
# column_h 1
# column_k 2
# column_l 3
#
# h k l Mult. d-space 2Theta F-squared
0 0 1 1 4.4078 26.2258 0
0 0 -1 1 4.4078 26.2258 0
1 -1 0 6 2.35368 50.2844 1.27432
-1 1 0 6 2.35368 50.2844 1.27432
1 0 0 6 2.35368 50.2844 1.27432
0 1 0 6 2.35368 50.2844 1.27432
0 -1 0 6 2.35368 50.2844 1.27432
-1 0 0 6 2.35368 50.2844 1.27432
0 0 2 1 2.2039 53.968 2.58117
0 0 -2 1 2.2039 53.968 2.58117
1 -1 -1 6 2.07622 57.5857 0.543945
-1 1 1 6 2.07622 57.5857 0.543945
0 1 1 6 2.07622 57.5857 0.543945
0 -1 -1 6 2.07622 57.5857 0.543945
1 0 1 6 2.07622 57.5857 0.543945
1 -1 1 6 2.07622 57.5857 0.543945
0 1 -1 6 2.07622 57.5857 0.543945
0 -1 1 6 2.07622 57.5857 0.543945
-1 1 -1 6 2.07622 57.5857 0.543945
-1 0 -1 6 2.07622 57.5857 0.543945
1 0 -1 6 2.07622 57.5857 0.543944
-1 0 1 6 2.07622 57.5857 0.543944
1 0 -2 6 1.60874 76.8668 0.451867
1 -1 2 6 1.60874 76.8668 0.451867
-1 1 -2 6 1.60874 76.8668 0.451867
-1 0 2 6 1.60874 76.8668 0.451867
0 1 2 6 1.60874 76.8668 0.451867
0 -1 -2 6 1.60874 76.8668 0.451867
1 -1 -2 6 1.60874 76.8668 0.451867
-1 1 2 6 1.60874 76.8668 0.451867
0 1 -2 6 1.60874 76.8668 0.451867
0 -1 2 6 1.60874 76.8668 0.451867
1 0 2 6 1.60874 76.8668 0.451867
-1 0 -2 6 1.60874 76.8668 0.451867
0 0 3 1 1.46927 85.783 0
0 0 -3 1 1.46927 85.783 0
2 -1 0 6 1.3589 94.7649 2.49946
1 1 0 6 1.3589 94.7649 2.49946
1 -2 0 6 1.3589 94.7649 2.49946
-1 2 0 6 1.3589 94.7649 2.49946
-1 -1 0 6 1.3589 94.7649 2.49946
-2 1 0 6 1.3589 94.7649 2.49946
2 -1 1 6 1.29859 100.72 0
2 -1 -1 6 1.29859 100.72 0
1 1 1 6 1.29859 100.72 0
1 1 -1 6 1.29859 100.72 0
1 -2 1 6 1.29859 100.72 0
1 -2 -1 6 1.29859 100.72 0
-1 2 1 6 1.29859 100.72 0
-1 2 -1 6 1.29859 100.72 0
-1 -1 1 6 1.29859 100.72 0
-1 -1 -1 6 1.29859 100.72 0
-2 1 1 6 1.29859 100.72 0
-2 1 -1 6 1.29859 100.72 0
1 -1 -3 6 1.24636 106.708 1.27653
0 1 -3 6 1.24636 106.708 1.27653
0 -1 3 6 1.24636 106.708 1.27653
-1 1 3 6 1.24636 106.708 1.27653
1 0 3 6 1.24636 106.708 1.27653
1 0 -3 6 1.24636 106.708 1.27653
1 -1 3 6 1.24636 106.708 1.27653
0 1 3 6 1.24636 106.708 1.27653
0 -1 -3 6 1.24636 106.708 1.27653
-1 1 -3 6 1.24636 106.708 1.27653
-1 0 3 6 1.24636 106.708 1.27653
-1 0 -3 6 1.24636 106.708 1.27653
0 2 0 6 1.17684 116.365 0.437564
0 -2 0 6 1.17684 116.365 0.437564
2 0 0 6 1.17684 116.365 0.437564
2 -2 0 6 1.17684 116.365 0.437564
-2 2 0 6 1.17684 116.365 0.437564
-2 0 0 6 1.17684 116.365 0.437564
1 1 -2 6 1.1567 119.659 0.886298
1 -2 2 6 1.1567 119.659 0.886298
-1 2 -2 6 1.1567 119.659 0.886298
-1 -1 2 6 1.1567 119.659 0.886298
2 -1 2 6 1.1567 119.659 0.886298
2 -1 -2 6 1.1567 119.659 0.886298
1 1 2 6 1.1567 119.659 0.886298
1 -2 -2 6 1.1567 119.659 0.886298
-1 2 2 6 1.1567 119.659 0.886298
-1 -1 -2 6 1.1567 119.659 0.886298
-2 1 2 6 1.1567 119.659 0.886298
-2 1 -2 6 1.1567 119.659 0.886298
0 2 -1 6 1.13701 123.164 0.186775
0 -2 1 6 1.13701 123.164 0.186775
0 2 1 6 1.13701 123.164 0.186775
0 -2 -1 6 1.13701 123.164 0.186775
2 0 -1 6 1.13701 123.164 0.186775
2 -2 1 6 1.13701 123.164 0.186775
-2 2 -1 6 1.13701 123.164 0.186775
-2 0 1 6 1.13701 123.164 0.186775
2 0 1 6 1.13701 123.164 0.186774
-2 0 -1 6 1.13701 123.164 0.186774
2 -2 -1 6 1.13701 123.164 0.186774
-2 2 1 6 1.13701 123.164 0.186774
0 0 4 1 1.10195 130.32 0.0338829
0 0 -4 1 1.10195 130.32 0.0338829
2 0 2 6 1.03811 148.854 0.155158
0 2 -2 6 1.03811 148.854 0.155158
0 -2 2 6 1.03811 148.854 0.155158
-2 0 -2 6 1.03811 148.854 0.155158
2 -2 -2 6 1.03811 148.854 0.155158
-2 2 2 6 1.03811 148.854 0.155158
0 2 2 6 1.03811 148.854 0.155158
0 -2 -2 6 1.03811 148.854 0.155158
2 0 -2 6 1.03811 148.854 0.155158
2 -2 2 6 1.03811 148.854 0.155158
-2 2 -2 6 1.03811 148.854 0.155158
-2 0 2 6 1.03811 148.854 0.155158
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