# CELL 3.67000 3.67000 5.97000 90.00000 90.00000 120.00000 # SPCGRP P 63/M M C # ATOM HE 1 0.33330 0.66660 0.25000 # ATOM HE 2 0.66666 0.33300 0.75000 # sigma_coh 1.34 coherent scattering cross section in [barn] # sigma_inc 0.00 incoherent scattering cross section in [barn] # sigma_abs 0.00 absorption scattering cross section in [barn] # density 0.2 in [g/cm^3] # weight 4 in [g/mol] # nb_atoms 2 in [atoms/unit cell] # At_number 2 atomic number Z # lattice_a 3.67 lattice parameter a in [Angs] # lattice_c 5.97 lattice parameter c in [Angs] # lattice_cc 120 lattice angle gamma in [deg] # # Format parameters: Lazy format # column_j 4 multiplicity 'j' # column_d 5 d-spacing 'd' in [Angs] # column_inv2d 6 # column_F2 8 scattering factor F^2 in [barn] # column_h 1 # column_k 2 # column_l 3 # >Phase no.: 1 p1 43 reflections, N&T: 0 0.00 (The # of eff. reflections may be lower) # h k l Mult D(A) sinT/lamb Fwhm F2 1 0 0 6 3.178313 0.15732 0.07174 0.090 0 0 2 2 2.985000 0.16750 0.07127 0.354 1 0 1 12 2.805503 0.17822 0.07079 0.259 1 0 2 12 2.175847 0.22980 0.06846 0.075 1 1 0 6 1.835000 0.27248 0.06655 0.262 1 0 3 12 1.686668 0.29644 0.06549 0.180 2 0 0 6 1.589157 0.31463 0.06468 0.056 1 1 2 12 1.563242 0.31985 0.06445 0.218 2 0 1 12 1.535681 0.32559 0.06420 0.160 0 0 4 2 1.492500 0.33501 0.06379 0.205 2 0 2 12 1.402752 0.35644 0.06285 0.046 1 0 4 12 1.350962 0.37011 0.06226 0.044 2 0 3 12 1.241788 0.40265 0.06086 0.111 2 1 0 12 1.201290 0.41622 0.06028 0.034 2 1 1 24 1.177684 0.42456 0.05993 0.098 1 1 4 12 1.157868 0.43183 0.05962 0.126 1 0 5 12 1.117730 0.44734 0.05898 0.086 2 1 2 24 1.114429 0.44866 0.05893 0.029 2 0 4 12 1.087923 0.45959 0.05848 0.027 3 0 0 6 1.059438 0.47195 0.05798 0.100 3 0 1 12 1.043140 0.47932 0.05768 0.000 2 1 3 24 1.028432 0.48618 0.05741 0.068 3 0 2 12 0.998418 0.50079 0.05684 0.083 0 0 6 2 0.995000 0.50251 0.05678 0.082 2 0 5 12 0.954585 0.52379 0.05598 0.053 1 0 6 12 0.949556 0.52656 0.05588 0.017 2 1 4 24 0.935816 0.53429 0.05560 0.017 3 0 3 12 0.935168 0.53466 0.05558 0.000 2 2 0 6 0.917500 0.54496 0.05522 0.061 3 1 0 12 0.881506 0.56721 0.05449 0.013 2 2 2 12 0.877007 0.57012 0.05439 0.051 1 1 6 12 0.874687 0.57163 0.05435 0.051 3 1 1 24 0.872050 0.57336 0.05429 0.037 3 0 4 12 0.863912 0.57876 0.05413 0.048 2 1 5 24 0.846851 0.59042 0.05380 0.033 3 1 2 24 0.845412 0.59143 0.05377 0.011 2 0 6 12 0.843334 0.59288 0.05373 0.011 1 0 7 12 0.823717 0.60700 0.05336 0.029 3 1 3 24 0.805971 0.62037 0.05306 0.026 4 0 0 6 0.794578 0.62926 0.05288 0.008 3 0 5 12 0.792458 0.63095 0.05285 0.000 4 0 1 12 0.787633 0.63481 0.05278 0.023 2 2 4 12 0.781621 0.63970 0.05270 0.030 4 0 2 12 0.767840 0.65118 0.05255 0.007 2 1 6 24 0.766282 0.65250 0.05253 0.007 3 1 4 24 0.759006 0.65876 0.05247 0.006 2 0 7 12 0.751476 0.66536 0.05243 0.018 0 0 8 2 0.746250 0.67002 0.05240 0.023 4 0 3 12 0.737929 0.67757 0.05239 0.016 3 2 0 12 0.729155 0.68573 0.05241 0.005 1 0 8 12 0.726493 0.68824 0.05242 0.005 3 0 6 12 0.725282 0.68939 0.05242 0.019 3 2 1 24 0.723777 0.69082 0.05243 0.014 3 1 5 24 0.709174 0.70505 0.05260 0.012 3 2 2 24 0.708329 0.70589 0.05261 0.004 4 0 4 12 0.701376 0.71288 0.05274 0.004 2 1 7 24 0.695421 0.71899 0.05289 0.011 4 1 0 12 0.693565 0.72091 0.05294 0.014 1 1 8 12 0.691273 0.72330 0.05301 0.014 4 1 1 24 0.688931 0.72576 0.05309 0.000 3 2 3 24 0.684643 0.73031 0.05324 0.010 4 1 2 24 0.675569 0.74012 0.05364 0.012 2 0 8 12 0.675481 0.74021 0.05364 0.003 2 2 6 12 0.674507 0.74128 0.05369 0.012 3 0 7 12 0.664343 0.75262 0.05429 0.000 4 0 5 12 0.661492 0.75587 0.05449 0.008 3 1 6 24 0.659812 0.75779 0.05461 0.003 3 2 4 24 0.655150 0.76318 0.05498 0.002 4 1 3 24 0.654928 0.76344 0.05500 0.000 1 0 9 12 0.649342 0.77001 0.05551 0.007 5 0 0 6 0.635663 0.78658 0.05707 0.002 2 1 8 24 0.633897 0.78877 0.05732 0.002 5 0 1 12 0.632090 0.79103 0.05757 0.005 4 1 4 24 0.628970 0.79495 0.05804 0.007 3 2 5 24 0.622293 0.80348 0.05918 0.005 5 0 2 12 0.621722 0.80422 0.05928 0.002 4 0 6 12 0.620894 0.80529 0.05944 0.002 3 1 7 24 0.612939 0.81574 0.06109 0.004 2 0 9 12 0.612146 0.81680 0.06127 0.004 3 3 0 6 0.611667 0.81744 0.06138 0.005 3 0 8 12 0.610093 0.81955 0.06176 0.005 5 0 3 12 0.605521 0.82574 0.06293 0.004 4 2 0 12 0.600645 0.83244 0.06433 0.001 4 1 5 24 0.599727 0.83371 0.06461 0.000 3 3 2 12 0.599216 0.83442 0.06477 0.005 4 2 1 24 0.597628 0.83664 0.06528 0.003 0 0 10 2 0.597000 0.83752 0.06549 0.004 4 2 2 24 0.588842 0.84912 0.06848 0.001 3 2 6 24 0.588139 0.85014 0.06877 0.001 1 0 10 12 0.586739 0.85217 0.06936 0.001 5 0 4 12 0.584829 0.85495 0.07019 0.001 4 0 7 12 0.581364 0.86005 0.07181 0.003 2 1 9 24 0.580687 0.86105 0.07215 0.003 2 2 8 12 0.578934 0.86366 0.07304 0.003 4 2 3 24 0.575023 0.86953 0.07519 0.002 5 1 0 12 0.570842 0.87590 0.07776 0.001 3 1 8 24 0.569562 0.87787 0.07860 0.001 4 1 6 24 0.568978 0.87877 0.07900 0.003 5 1 1 24 0.568250 0.87989 0.07950 0.002 1 1 10 12 0.567710 0.88073 0.07988 0.003 3 3 4 12 0.565980 0.88342 0.08114 0.003 3 0 9 12 0.562223 0.88933 0.08410 0.000 5 0 5 12 0.561101 0.89111 0.08504 0.002 5 1 2 24 0.560682 0.89177 0.08541 0.001 2 0 10 12 0.558865 0.89467 0.08704 0.001 4 2 4 24 0.557214 0.89732 0.08860 0.001 3 2 7 24 0.554214 0.90218 0.09166 0.002 5 1 3 24 0.548713 0.91122 0.09812 0.001 4 0 8 12 0.543962 0.91918 0.10483 0.000 4 1 7 24 0.538094 0.92921 0.11502 0.000 4 2 5 24 0.536576 0.93183 0.11809 0.001 5 0 6 12 0.535678 0.93340 0.12001 0.000 1 0 11 12 0.534984 0.93461 0.12155 0.001 2 1 10 24 0.534620 0.93524 0.12238 0.000 5 1 4 24 0.533175 0.93778 0.12580 0.000 3 1 9 24 0.530030 0.94334 0.13417 0.001 6 0 0 6 0.529719 0.94390 0.13507 0.001 6 0 1 12 0.527646 0.94761 0.14151 0.000 4 3 0 12 0.522512 0.95692 0.16136 0.000 6 0 2 12 0.521570 0.95864 0.16579 0.001 3 2 8 24 0.521529 0.95872 0.16599 0.000 3 3 6 12 0.521081 0.95954 0.16821 0.001 4 3 1 24 0.520522 0.96057 0.17109 0.001 3 0 10 12 0.520107 0.96134 0.17330 0.001