data_1529499 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 9.83173(14) _cell_length_b 3.266226(48) _cell_length_c 11.49502(18) _cod_data_source_file SrIn2O4_0p01Er.fcf _cod_data_source_block a _shelx_f_squared_multiplier 1 loop_ _symmetry_equiv_pos_as_xyz '-x, -y, -z' '-x, y+1/2, -z' '-x+1/2, -y, z+1/2' '-x+1/2, y+1/2, z+1/2' 'x, -y+1/2, z' 'x, y, z' 'x+1/2, -y+1/2, -z+1/2' 'x+1/2, y, -z+1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc 1 0 1 0.00 0.00 180.00000 0 0 2 0.23 0.23 0.00000 1 0 2 1.03 1.07 0.00000 2 0 0 2.63 2.61 0.00000 2 0 1 0.00 0.00 180.00000 2 0 2 3.69 3.66 0.00000 1 0 3 0.37 0.28 180.00000 3 0 1 0.86 0.84 0.00000 0 1 1 5.19 4.76 0.00000 2 0 3 0.34 0.30 180.00000 1 1 1 4.76 4.46 0.00000 0 0 4 37.41 37.84 180.00000 3 0 2 81.35 82.87 0.00000 1 0 4 5.58 5.15 0.00000 1 1 2 69.03 69.28 0.00000 2 1 0 33.34 33.05 180.00000 2 1 1 2.64 2.68 180.00000 3 0 3 0.09 0.07 0.00000 0 1 3 0.55 0.42 180.00000 2 0 4 2.62 2.01 180.00000 2 1 2 3.20 2.63 180.00000 4 0 0 0.11 0.09 0.00000 1 1 3 22.93 22.15 180.00000 4 0 1 0.64 0.64 180.00000 3 1 1 10.96 10.43 180.00000 4 0 2 6.41 6.02 180.00000 1 0 5 0.72 0.74 180.00000 2 1 3 2.14 2.16 180.00000 3 0 4 0.43 0.44 0.00000 3 1 2 3.35 3.33 0.00000 1 1 4 14.21 14.26 0.00000 2 0 5 0.53 0.57 180.00000 4 0 3 0.02 0.02 180.00000 3 1 3 14.93 14.54 0.00000 2 1 4 62.74 62.38 0.00000 4 1 0 41.40 42.33 180.00000 5 0 1 0.53 0.49 0.00000 4 1 1 17.44 16.44 0.00000 0 0 6 1.42 1.26 180.00000 3 0 5 0.80 0.80 180.00000 1 0 6 2.06 2.04 180.00000 0 1 5 8.18 8.08 180.00000 4 0 4 0.02 0.03 180.00000 5 0 2 5.27 5.16 0.00000 4 1 2 4.69 4.61 180.00000 1 1 5 0.01 0.01 0.00000 3 1 4 0.01 0.01 0.00000 2 0 6 24.43 24.08 180.00000 2 1 5 5.71 6.00 0.00000 5 0 3 0.04 0.04 0.00000 4 1 3 3.91 4.14 0.00000 4 0 5 0.10 0.11 180.00000 5 1 1 1.14 1.14 0.00000 3 0 6 38.48 38.08 180.00000 6 0 0 33.81 33.08 180.00000 0 2 0 47.42 48.31 180.00000 3 1 5 0.87 0.91 180.00000 1 1 6 40.79 42.40 180.00000 5 0 4 7.49 7.74 0.00000 6 0 1 1.28 1.32 0.00000 4 1 4 59.59 61.18 0.00000 1 0 7 0.28 0.29 0.00000 5 1 2 43.84 44.51 180.00000 1 2 1 0.00 0.00 0.00000 6 0 2 0.80 0.71 180.00000 0 2 2 0.25 0.23 180.00000 2 1 6 22.98 22.23 0.00000 2 0 7 0.83 0.83 0.00000 1 2 2 1.10 1.06 180.00000 2 2 0 2.52 2.42 180.00000 5 1 3 3.92 3.77 180.00000 2 2 1 0.00 0.00 0.00000 4 0 6 9.21 8.59 0.00000 6 0 3 1.38 1.37 0.00000 2 2 2 3.96 3.92 180.00000 5 0 5 0.27 0.26 180.00000 4 1 5 5.46 5.19 180.00000 1 2 3 0.22 0.22 0.00000 3 1 6 3.24 3.09 180.00000 3 0 7 0.39 0.35 0.00000 0 1 7 0.28 0.25 0.00000 6 1 0 4.08 3.71 180.00000 5 1 4 1.86 1.76 180.00000 6 1 1 2.83 2.69 180.00000 1 1 7 6.65 6.27 0.00000 3 2 1 0.89 0.84 180.00000 0 0 8 8.26 8.15 0.00000 2 2 3 0.31 0.31 0.00000 6 0 4 47.34 44.25 0.00000 1 0 8 15.26 14.67 180.00000 0 2 4 44.07 43.32 0.00000 6 1 2 1.43 1.41 180.00000 3 2 2 95.59 97.33 180.00000 2 1 7 2.12 2.19 180.00000 1 2 4 6.85 7.13 180.00000 7 0 1 0.18 0.19 180.00000 2 0 8 4.12 4.21 0.00000 5 0 6 3.88 3.89 180.00000 4 1 6 20.03 20.01 0.00000 6 1 3 0.02 0.02 0.00000 3 2 3 0.01 0.01 180.00000 4 0 7 0.11 0.12 180.00000 7 0 2 1.53 1.70 0.00000 2 2 4 2.56 2.85 0.00000 4 2 0 0.09 0.11 180.00000 5 1 5 1.66 1.92 0.00000 4 2 1 0.41 0.42 0.00000 3 1 7 9.65 10.64 180.00000 6 0 5 1.67 1.84 180.00000 4 2 2 5.60 5.64 0.00000 1 2 5 0.45 0.45 0.00000 7 0 3 0.01 0.01 0.00000 3 0 8 4.70 4.68 180.00000 6 1 4 5.29 5.00 0.00000 1 1 8 18.33 17.93 180.00000 3 2 4 0.75 0.73 180.00000 2 2 5 0.64 0.59 0.00000 7 1 1 7.07 7.00 180.00000 4 2 3 0.02 0.02 0.00000 2 1 8 15.22 14.49 180.00000 1 0 9 0.07 0.06 180.00000 5 1 6 17.75 15.91 0.00000 7 0 4 3.06 2.76 180.00000 5 0 7 0.01 0.01 180.00000 4 1 7 0.02 0.02 0.00000 7 1 2 35.99 34.79 180.00000 5 2 1 0.56 0.56 180.00000 6 0 6 1.76 1.70 0.00000 0 2 6 1.63 1.64 0.00000 4 0 8 0.69 0.70 180.00000 2 0 9 1.45 1.43 0.00000 6 1 5 12.49 12.11 0.00000 3 2 5 0.89 0.87 0.00000 1 2 6 2.50 2.44 0.00000 4 2 4 0.04 0.04 0.00000 8 0 0 2.34 2.19 180.00000 5 2 2 6.72 6.48 180.00000 7 1 3 13.08 13.58 0.00000 8 0 1 0.01 0.01 0.00000 3 1 8 0.03 0.03 180.00000 2 2 6 25.75 28.75 0.00000 8 0 2 1.56 1.73 180.00000 7 0 5 0.00 0.00 180.00000 5 2 3 0.04 0.04 180.00000 3 0 9 0.17 0.19 0.00000 0 1 9 3.94 4.42 0.00000 1 1 9 4.67 4.67 180.00000 7 1 4 8.42 8.02 180.00000 5 1 7 5.30 4.87 0.00000 4 2 5 0.14 0.13 0.00000 8 0 3 1.95 1.85 0.00000 6 1 6 0.57 0.49 0.00000 3 2 6 51.00 49.26 0.00000 5 0 8 16.99 16.83 180.00000 6 0 7 0.61 0.60 180.00000 4 1 8 16.94 16.81 180.00000 6 2 0 40.87 42.98 0.00000 2 1 9 1.03 1.08 180.00000 5 2 4 10.29 10.63 180.00000 6 2 1 1.68 1.73 180.00000 8 1 0 11.10 11.46 0.00000 1 2 7 0.38 0.40 180.00000 0 0 10 2.94 3.05 0.00000 8 1 1 2.41 2.52 0.00000 1 0 10 1.61 1.69 0.00000 6 2 2 0.79 0.76 0.00000 4 0 9 0.63 0.60 0.00000 7 0 6 0.00 0.00 0.00000 8 0 4 6.37 6.46 0.00000 8 1 2 0.35 0.35 0.00000 2 2 7 0.88 0.91 180.00000 7 1 5 1.96 2.00 0.00000 2 0 10 17.77 18.26 0.00000 3 1 9 3.68 3.76 0.00000 4 2 6 11.41 11.71 180.00000 6 2 3 1.77 1.81 180.00000 5 2 5 0.44 0.47 0.00000 8 1 3 0.10 0.11 180.00000 5 1 8 7.40 7.61 0.00000 6 1 7 3.05 3.14 180.00000 3 2 7 0.41 0.41 180.00000 9 0 1 2.21 2.16 180.00000 3 0 10 5.24 5.22 0.00000 0 3 1 1.93 1.90 180.00000 8 0 5 0.20 0.20 0.00000 6 0 8 10.04 9.36 180.00000 0 2 8 12.62 11.28 180.00000 1 1 10 12.59 11.08 0.00000 1 3 1 2.38 2.07 180.00000 9 0 2 30.08 29.13 180.00000 6 2 4 61.79 59.98 180.00000 1 2 8 21.11 20.43 0.00000 5 0 9 0.24 0.24 0.00000 4 1 9 1.94 1.91 0.00000 7 1 6 25.38 24.76 0.00000 8 1 4 14.25 13.63 180.00000 7 0 7 0.02 0.01 180.00000 1 3 2 28.57 29.28 180.00000 2 3 0 13.41 13.82 0.00000 7 2 1 0.14 0.15 0.00000 2 1 10 18.02 19.59 180.00000 2 3 1 1.58 1.69 0.00000 2 2 8 5.35 5.73 180.00000 5 2 6 5.57 5.61 0.00000 9 0 3 0.77 0.78 0.00000 4 2 7 0.15 0.14 0.00000 0 3 3 0.03 0.03 0.00000 7 2 2 2.33 2.23 180.00000 2 3 2 1.18 1.07 0.00000 1 3 3 7.81 7.52 0.00000 4 0 10 9.36 9.01 180.00000 1 0 11 0.17 0.16 180.00000 8 0 6 12.73 12.43 0.00000 6 2 5 2.32 2.26 0.00000 9 1 1 0.20 0.20 0.00000 3 1 10 0.01 0.01 180.00000 3 3 1 3.05 2.97 0.00000 8 1 5 2.91 2.80 180.00000 7 2 3 0.01 0.01 180.00000 6 1 8 3.03 2.95 180.00000 3 2 8 6.38 6.37 0.00000 2 3 3 0.57 0.57 0.00000 2 0 11 0.02 0.02 0.00000 9 0 4 0.18 0.18 180.00000 9 1 2 11.35 11.23 180.00000 5 1 9 7.23 7.43 180.00000 3 3 2 1.37 1.39 180.00000 7 1 7 3.02 3.13 180.00000 1 3 4 5.54 5.84 180.00000 6 0 9 0.02 0.02 0.00000 7 0 8 4.92 4.82 0.00000