data_1529235 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 4.11991(35) _cell_length_b 4.22332(38) _cell_length_c 13.3490(12) _cod_data_source_file Nd2O2SO4.fcf _cod_data_source_block a _shelx_f_squared_multiplier 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z' '-x, y, -z' '-x+1/2, -y+1/2, z+1/2' '-x+1/2, y+1/2, -z+1/2' 'x, y, z' 'x+1/2, -y+1/2, -z+1/2' 'x+1/2, y+1/2, z+1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc 0 0 2 1.98 1.97 180.00000 0 1 1 3.19 3.08 180.00000 1 0 1 2.52 2.39 360.00000 0 0 4 0.52 0.54 180.00000 0 1 3 38.95 39.43 0.00000 1 0 3 42.91 43.45 180.00000 1 1 0 32.01 31.77 180.00000 1 1 2 4.83 5.28 330.64422 0 1 5 5.07 4.45 180.00000 1 0 5 6.35 5.83 360.00000 0 0 6 10.36 10.03 0.00000 1 1 4 12.55 11.76 336.00998 0 2 0 12.82 12.79 0.00000 2 0 0 14.28 13.98 0.00000 0 2 2 9.58 9.73 180.00000 2 0 2 7.83 8.23 180.00000 1 2 1 8.21 8.91 356.21580 2 1 1 6.29 6.89 171.92743 0 2 4 1.69 1.64 180.00000 1 1 6 58.14 58.76 187.19987 2 0 4 1.62 1.54 180.00000 0 1 7 3.04 2.94 180.00000 1 2 3 50.11 47.34 183.78982 1 0 7 2.59 2.44 360.00000 2 1 3 48.19 46.72 7.07550 0 0 8 2.85 3.00 180.00000 1 2 5 7.03 7.21 350.38062 0 2 6 20.26 21.20 0.00000 2 1 5 6.71 6.60 160.99458 2 0 6 18.91 19.92 0.00000 2 2 0 26.83 27.31 0.00000 1 1 8 10.28 10.37 355.33403 2 2 2 5.98 5.90 174.29297 0 3 1 3.45 3.50 180.00000 0 1 9 18.46 18.71 0.00000 1 0 9 15.22 15.36 180.00000 3 0 1 4.00 4.21 360.00000 2 2 4 2.22 2.23 166.18578 0 3 3 16.04 16.05 0.00000 1 2 7 1.86 1.89 349.64836 0 0 10 1.75 1.79 180.00000 1 3 0 13.98 14.12 180.00000 2 1 7 3.36 3.29 166.26318 3 0 3 16.41 15.54 180.00000 0 2 8 1.26 1.19 180.00000 1 3 2 4.29 4.07 11.64372 3 1 0 14.74 14.03 180.00000 2 0 8 1.53 1.48 180.00000 3 1 2 3.72 3.74 3.43261 0 3 5 2.22 2.20 180.00000 1 3 4 5.18 5.05 14.05904 2 2 6 27.51 25.62 2.76852 3 0 5 2.45 2.41 360.00000 3 1 4 4.65 4.64 4.12468 1 1 10 1.59 1.58 13.72276 0 1 11 3.66 3.74 180.00000 1 2 9 29.71 30.07 179.82005 1 0 11 3.06 3.09 360.00000 2 3 1 2.75 2.65 185.70777 2 1 9 32.37 31.14 359.67154 3 2 1 1.97 1.90 1.07791 1 3 6 33.44 32.76 175.93754 0 3 7 0.89 0.89 180.00000 0 2 10 0.67 0.68 180.00000 3 1 6 31.26 31.57 178.82764 2 3 3 27.91 28.39 356.11211 2 0 10 0.81 0.85 180.00000 3 2 3 28.82 30.36 179.43024 3 0 7 0.47 0.50 360.00000 0 0 12 6.32 6.61 0.00000 2 2 8 4.93 5.10 178.15129 2 3 5 4.17 4.13 190.88748 3 2 5 4.73 4.73 1.52146 0 4 0 7.76 7.79 0.00000 0 4 2 1.79 1.77 180.00000 1 3 8 4.94 4.91 3.22283 1 1 12 21.63 21.50 174.06571 4 0 0 6.39 6.24 0.00000 3 1 8 5.01 4.91 0.91389 0 3 9 14.16 13.81 0.00000 1 4 1 2.58 2.51 5.69278 1 2 11 3.84 3.75 5.25622 4 0 2 2.39 2.34 180.00000 2 1 11 5.29 5.23 187.99713 3 0 9 13.19 13.16 180.00000 0 4 4 0.79 0.79 180.00000 4 1 1 2.74 2.81 186.59389 0 1 13 0.47 0.48 180.00000 1 4 3 22.66 23.28 175.75521 1 0 13 0.79 0.81 360.00000 2 3 7 2.62 2.64 187.33051 2 2 10 2.85 2.88 182.71427 3 2 7 2.54 2.62 1.12014 4 0 4 0.81 0.84 180.00000 0 2 12 12.10 12.54 0.00000 3 3 0 10.79 11.14 180.00000 2 0 12 11.86 12.11 0.00000 4 1 3 20.96 21.06 354.40859 3 3 2 1.73 1.72 357.27319 1 4 5 3.84 3.79 11.34583 0 4 6 8.71 8.59 0.00000 0 0 14 1.27 1.25 180.00000 3 3 4 2.65 2.62 357.16377 1 3 10 0.84 0.83 349.55822 2 4 0 10.19 10.18 0.00000 4 1 5 3.24 3.24 195.65206 4 0 6 9.14 9.08 0.00000 3 1 10 0.85 0.84 357.07395 2 4 2 4.13 4.05 185.99701 4 2 0 10.95 11.03 0.00000 0 3 11 1.84 1.83 180.00000 4 2 2 3.22 3.20 184.60391 2 3 9 18.12 17.88 0.22767 3 2 9 14.91 14.63 180.03905 3 0 11 1.30 1.28 360.00000 1 1 14 3.85 3.81 12.53833 2 4 4 1.57 1.57 195.13517 1 4 7 1.68 1.66 9.79817 1 2 13 1.29 1.28 10.18552 3 3 6 18.68 18.46 180.81497 2 1 13 0.91 0.91 204.33005 0 4 8 1.71 1.75 180.00000 4 2 4 1.38 1.41 190.81012 2 2 12 17.69 17.87 357.99337