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# TITLE *YBa2Cu3O7 yttrium barium cuprate
# SPCGRP Pmmm orthorhombic (perovskite)
# Reference: Bednorz J G, Müller K A 1986 Z. Phys. B 64 189
#
# Physical parameters:
# sigma_coh 66.06 coherent scattering cross section (single atom) in [barn]
# sigma_inc 2.105 incoherent scattering cross section (single atom)in [barn]
# sigma_abs 14.82 absorption scattering cross section (single atom) in [barn]
# density 6.3 in [g/cm^3]
# weight 666.1 in [g/mol] (single atom)
# multiplicity 1 in [atoms/unit cell]
# Vc 173.28 volume of unit cell in [A^3]
# lattice_a 3.8186 lattice parameter a in [Angs]
# lattice_b 3.886 lattice parameter b in [Angs]
# lattice_c 11.6777 lattice parameter c in [Angs]
#
# 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 2 11.6777 7.57041 76.2348
0 0 -1 2 11.6777 7.57041 76.2348
0 0 2 2 5.83885 15.1741 397.027
0 0 -2 2 5.83885 15.1741 397.027
0 0 3 2 3.89257 22.8458 2084.26
0 0 -3 2 3.89257 22.8458 2084.26
0 1 0 2 3.8843 22.895 2310.15
0 -1 0 2 3.8843 22.895 2310.15
1 0 0 2 3.8186 23.2944 1590.25
-1 0 0 2 3.8186 23.2944 1590.25
0 1 -1 4 3.68575 24.1465 79.9977
0 -1 1 4 3.68575 24.1465 79.9977
0 1 1 4 3.68575 24.1465 79.9976
0 -1 -1 4 3.68575 24.1465 79.9976
1 0 1 4 3.62948 24.5266 21.5105
1 0 -1 4 3.62948 24.5266 21.5105
-1 0 1 4 3.62948 24.5266 21.5105
-1 0 -1 4 3.62948 24.5266 21.5105
0 1 2 4 3.23404 27.5814 891.25
0 -1 -2 4 3.23404 27.5814 891.25
0 1 -2 4 3.23404 27.5814 891.25
0 -1 2 4 3.23404 27.5814 891.25
1 0 -2 4 3.19583 27.9179 1402.22
-1 0 2 4 3.19583 27.9179 1402.22
1 0 2 4 3.19583 27.9179 1402.22
-1 0 -2 4 3.19583 27.9179 1402.22
0 1 3 4 2.74953 32.566 20895.5
0 -1 -3 4 2.74953 32.566 20895.5
0 1 -3 4 2.74953 32.566 20895.5
0 -1 3 4 2.74953 32.566 20895.5
1 0 3 4 2.72593 32.8559 22705.3
1 0 -3 4 2.72593 32.8559 22705.3
-1 0 3 4 2.72593 32.8559 22705.3
-1 0 -3 4 2.72593 32.8559 22705.3
1 1 0 4 2.72309 32.8911 22369.7
1 -1 0 4 2.72309 32.8911 22369.7
-1 1 0 4 2.72309 32.8911 22369.7
-1 -1 0 4 2.72309 32.8911 22369.7
1 -1 -1 8 2.65194 33.7997 265.48
-1 1 1 8 2.65194 33.7997 265.48
1 1 1 8 2.65194 33.7997 265.48
1 1 -1 8 2.65194 33.7997 265.48
-1 -1 1 8 2.65194 33.7997 265.48
-1 -1 -1 8 2.65194 33.7997 265.48
1 -1 1 8 2.65194 33.7997 265.479
-1 1 -1 8 2.65194 33.7997 265.479
1 1 2 8 2.46789 36.4053 613.872
1 1 -2 8 2.46789 36.4053 613.872
1 -1 -2 8 2.46789 36.4053 613.872
-1 1 2 8 2.46789 36.4053 613.872
-1 -1 2 8 2.46789 36.4053 613.872
-1 -1 -2 8 2.46789 36.4053 613.872
1 -1 2 8 2.46789 36.4053 613.871
-1 1 -2 8 2.46789 36.4053 613.871
1 1 3 8 2.2313 40.4248 4476.12
-1 -1 -3 8 2.2313 40.4248 4476.12
1 1 -3 8 2.2313 40.4248 4476.11
1 -1 3 8 2.2313 40.4248 4476.11
1 -1 -3 8 2.2313 40.4248 4476.11
-1 1 3 8 2.2313 40.4248 4476.11
-1 1 -3 8 2.2313 40.4248 4476.11
-1 -1 3 8 2.2313 40.4248 4476.11
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