data_7221946 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 9.65081(23) _cell_length_b 3.216270(77) _cell_length_c 11.30393(32) _cod_data_source_file CaIn2O4_0p005Ho_0p1Yb.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 0.44 0.39 0.00000 1 0 2 4.50 4.87 0.00000 2 0 0 5.24 5.36 0.00000 2 0 1 0.02 0.02 180.00000 2 0 2 1.36 1.31 0.00000 1 0 3 0.22 0.22 180.00000 3 0 1 0.35 0.30 0.00000 0 1 1 0.93 0.82 0.00000 2 0 3 0.29 0.30 180.00000 1 1 1 0.52 0.53 0.00000 0 0 4 27.47 27.91 180.00000 3 0 2 56.75 58.70 0.00000 1 0 4 0.79 0.73 0.00000 1 1 2 64.18 66.59 0.00000 2 1 0 29.41 30.47 180.00000 2 1 1 0.01 0.01 0.00000 3 0 3 0.35 0.31 0.00000 0 1 3 0.66 0.60 180.00000 2 0 4 6.44 6.23 180.00000 2 1 2 2.55 2.41 180.00000 4 0 0 0.81 0.78 180.00000 1 1 3 6.81 6.80 180.00000 4 0 1 0.28 0.30 180.00000 3 1 1 4.52 4.16 180.00000 4 0 2 3.95 3.90 180.00000 1 0 5 0.45 0.45 180.00000 2 1 3 1.45 1.61 180.00000 3 0 4 1.57 1.52 0.00000 3 1 2 1.40 1.31 0.00000 1 1 4 10.60 10.92 0.00000 2 0 5 0.19 0.21 180.00000 4 0 3 0.00 0.00 0.00000 3 1 3 5.29 5.02 0.00000 2 1 4 61.40 59.43 0.00000 4 1 0 41.38 41.12 180.00000 5 0 1 0.18 0.16 0.00000 4 1 1 5.81 5.16 0.00000 0 0 6 2.88 2.80 180.00000 3 0 5 0.54 0.52 180.00000 0 1 5 3.89 3.72 180.00000 1 0 6 3.24 3.10 180.00000 4 0 4 1.42 1.32 0.00000 5 0 2 11.73 11.07 0.00000 4 1 2 3.24 3.06 180.00000 1 1 5 0.01 0.01 0.00000 3 1 4 0.03 0.03 0.00000 2 0 6 10.53 9.66 180.00000 2 1 5 0.79 0.88 0.00000 5 0 3 0.00 0.00 180.00000 4 1 3 2.87 3.05 0.00000 4 0 5 0.58 0.60 180.00000 5 1 1 0.60 0.48 0.00000 3 0 6 37.11 34.15 180.00000 6 0 0 25.31 22.24 180.00000 0 2 0 38.52 33.91 180.00000 3 1 5 0.44 0.41 180.00000 1 1 6 45.86 42.46 180.00000 5 0 4 3.35 3.00 0.00000 4 1 4 60.32 54.53 0.00000 6 0 1 0.48 0.43 0.00000 1 0 7 0.56 0.51 0.00000 5 1 2 38.41 36.91 180.00000 1 2 1 0.00 0.00 0.00000 6 0 2 0.84 0.74 180.00000 0 2 2 0.49 0.43 180.00000 2 1 6 18.07 16.63 0.00000 2 0 7 0.76 0.70 0.00000 1 2 2 5.80 5.32 180.00000 2 2 0 5.90 5.45 180.00000 5 1 3 0.10 0.11 180.00000 2 2 1 0.01 0.01 0.00000 4 0 6 3.99 3.93 0.00000 6 0 3 0.59 0.57 0.00000 2 2 2 1.28 1.28 180.00000 5 0 5 0.04 0.04 180.00000 4 1 5 0.29 0.30 180.00000 1 2 3 0.20 0.21 0.00000 3 1 6 1.86 1.89 180.00000 3 0 7 0.40 0.40 0.00000 0 1 7 0.01 0.01 180.00000 6 1 0 1.03 0.98 180.00000 5 1 4 1.43 1.37 180.00000 6 1 1 0.25 0.24 180.00000 1 1 7 0.80 0.77 0.00000 3 2 1 0.29 0.28 180.00000 2 2 3 0.27 0.26 0.00000 0 0 8 7.68 7.27 0.00000 6 0 4 38.97 34.00 0.00000 1 0 8 8.01 6.90 180.00000 0 2 4 34.45 30.07 0.00000 6 1 2 1.27 1.26 180.00000 3 2 2 64.36 64.22 180.00000 1 2 4 1.15 1.26 180.00000 2 1 7 0.03 0.04 180.00000 7 0 1 0.36 0.38 180.00000 2 0 8 4.88 4.44 0.00000 5 0 6 4.48 3.87 180.00000 4 1 6 13.50 11.77 0.00000 6 1 3 0.01 0.01 0.00000 3 2 3 0.14 0.14 180.00000 2 2 4 7.32 7.55 0.00000 4 0 7 0.07 0.07 180.00000 7 0 2 0.01 0.01 0.00000 4 2 0 0.89 0.95 0.00000 5 1 5 0.41 0.44 0.00000 4 2 1 0.13 0.15 0.00000 3 1 7 2.50 2.53 180.00000 6 0 5 0.55 0.54 180.00000 4 2 2 3.27 3.21 0.00000 1 2 5 0.29 0.28 0.00000 7 0 3 0.22 0.20 0.00000 3 0 8 6.86 6.27 180.00000 6 1 4 2.67 2.45 0.00000 1 1 8 11.40 10.52 180.00000 3 2 4 2.31 2.12 180.00000 2 2 5 0.23 0.24 0.00000 4 2 3 0.00 0.00 180.00000 7 1 1 1.97 1.85 180.00000 2 1 8 18.02 17.73 180.00000 1 0 9 0.04 0.04 180.00000 5 1 6 15.09 14.18 0.00000 7 0 4 0.78 0.69 180.00000 5 0 7 0.01 0.01 180.00000 4 1 7 0.15 0.14 180.00000 7 1 2 36.56 36.90 180.00000 5 2 1 0.20 0.21 180.00000 6 0 6 3.53 3.56 0.00000 0 2 6 3.40 3.42 0.00000 4 0 8 1.03 1.01 180.00000 2 0 9 1.27 1.23 0.00000 6 1 5 3.62 3.42 0.00000 3 2 5 0.56 0.53 0.00000 1 2 6 4.11 3.87 0.00000 4 2 4 1.79 1.67 180.00000 5 2 2 13.31 13.18 180.00000 8 0 0 3.10 3.08 180.00000 7 1 3 3.45 3.73 0.00000 3 1 8 0.24 0.26 180.00000 8 0 1 0.02 0.02 0.00000 2 2 6 10.70 10.72 0.00000 8 0 2 0.44 0.47 180.00000 7 0 5 0.09 0.10 180.00000 5 2 3 0.00 0.00 0.00000 3 0 9 0.04 0.04 0.00000 0 1 9 2.51 2.66 0.00000 1 1 9 0.36 0.35 180.00000 7 1 4 4.44 4.18 180.00000 5 1 7 0.44 0.42 0.00000 4 2 5 0.75 0.67 0.00000 8 0 3 1.94 1.59 0.00000 6 1 6 0.39 0.36 0.00000 3 2 6 44.90 41.40 0.00000 5 0 8 7.19 6.75 180.00000 4 1 8 18.74 17.67 180.00000 6 0 7 0.51 0.48 180.00000 6 2 0 28.43 27.31 0.00000 2 1 9 0.24 0.23 180.00000 5 2 4 3.98 3.77 180.00000 6 2 1 0.56 0.53 180.00000 1 2 7 0.66 0.63 180.00000 0 0 10 4.56 4.47 0.00000 8 1 0 10.43 10.52 0.00000 8 1 1 0.11 0.12 0.00000 1 0 10 1.09 1.20 0.00000 6 2 2 0.88 0.89 0.00000 4 0 9 1.08 1.08 0.00000 7 0 6 0.40 0.39 0.00000 8 0 4 7.53 7.30 0.00000 2 2 7 0.73 0.71 180.00000 8 1 2 1.01 0.99 0.00000 7 1 5 0.58 0.56 0.00000 2 0 10 7.19 7.28 0.00000 3 1 9 0.49 0.49 0.00000 4 2 6 4.64 4.79 180.00000 6 2 3 0.69 0.72 180.00000 5 2 5 0.09 0.09 0.00000 8 1 3 0.30 0.30 180.00000 5 1 8 8.33 8.17 0.00000 6 1 7 0.70 0.67 180.00000 3 2 7 0.42 0.41 180.00000 9 0 1 0.41 0.37 180.00000 0 3 1 0.32 0.29 180.00000 3 0 10 9.62 8.62 0.00000 8 0 5 0.06 0.05 0.00000 6 0 8 10.97 10.11 180.00000 0 2 8 10.77 9.79 180.00000 1 3 1 0.29 0.26 180.00000 1 1 10 14.49 12.71 0.00000 6 2 4 49.76 43.55 180.00000 1 2 8 10.05 8.76 0.00000 9 0 2 22.06 19.80 180.00000 5 0 9 0.04 0.03 0.00000 4 1 9 0.42 0.38 0.00000 7 1 6 30.91 28.25 0.00000 8 1 4 12.94 12.07 180.00000 7 0 7 0.13 0.13 180.00000 1 3 2 26.51 25.10 180.00000 2 3 0 12.04 11.36 0.00000 7 2 1 0.40 0.40 0.00000 2 3 1 0.03 0.03 0.00000 2 1 10 15.08 14.91 180.00000 2 2 8 5.69 5.77 180.00000 5 2 6 5.50 5.50 0.00000 9 0 3 0.14 0.14 0.00000 0 3 3 0.08 0.08 0.00000 4 2 7 0.07 0.08 0.00000 7 2 2 0.01 0.01 180.00000 2 3 2 0.80 0.85 0.00000 1 3 3 1.59 1.68 0.00000 4 0 10 2.74 2.83 180.00000 1 0 11 0.18 0.18 180.00000 6 2 5 0.63 0.64 0.00000 8 0 6 4.21 4.37 0.00000 9 1 1 0.00 0.00 180.00000 3 3 1 0.96 0.94 0.00000 3 1 10 0.01 0.01 180.00000 8 1 5 0.27 0.26 180.00000 7 2 3 0.25 0.26 180.00000 2 3 3 0.32 0.34 0.00000 6 1 8 2.33 2.42 180.00000 3 2 8 8.26 8.42 0.00000 2 0 11 0.09 0.09 0.00000 9 0 4 0.97 0.96 180.00000 9 1 2 5.44 5.82 180.00000 3 3 2 0.51 0.52 180.00000 5 1 9 2.00 1.93 180.00000 1 3 4 3.49 3.92 180.00000 7 1 7 0.69 0.80 180.00000 6 0 9 0.04 0.04 180.00000 7 0 8 1.37 1.25 0.00000 1 2 9 0.04 0.04 0.00000 9 1 3 0.85 0.79 180.00000 3 3 3 1.83 1.71 180.00000 7 2 4 1.02 0.96 0.00000 2 3 4 24.10 22.43 180.00000 5 2 7 0.03 0.03 0.00000 4 3 0 17.07 15.84 0.00000 3 0 11 0.02 0.02 180.00000 0 1 11 0.13 0.12 180.00000 4 3 1 1.82 1.73 180.00000 5 0 10 3.86 3.65 0.00000 4 1 10 18.34 17.23 180.00000 1 1 11 0.07 0.06 0.00000 6 2 6 5.04 4.81 180.00000 4 2 8 1.40 1.36 0.00000 2 2 9 1.57 1.56 180.00000 9 0 5 0.60 0.60 0.00000 8 1 6 5.64 5.60 180.00000 0 3 5 1.35 1.34 0.00000 8 0 7 0.70 0.68 180.00000 4 3 2 1.13 1.14 0.00000 10 0 0 0.00 0.00 180.00000 8 2 0 4.27 4.35 0.00000 1 3 5 0.00 0.00 0.00000 10 0 1 0.01 0.01 180.00000 8 2 1 0.04 0.04 180.00000 2 1 11 2.02 2.17 0.00000 9 1 4 0.16 0.18 180.00000 3 3 4 0.02 0.02 180.00000 10 0 2 0.05 0.05 0.00000 8 2 2 0.64 0.68 0.00000 7 2 5 0.11 0.11 0.00000 2 3 5 0.32 0.32 180.00000 4 3 3 1.12 1.10 180.00000 6 1 9 4.68 4.58 180.00000 3 2 9 0.07 0.07 180.00000 4 0 11 0.05 0.05 0.00000 7 1 8 13.89 13.54 0.00000 0 0 12 1.53 1.49 180.00000 1 0 12 5.26 5.15 0.00000 3 1 11 2.51 2.37 0.00000 10 0 3 0.07 0.06 0.00000 8 2 3 2.27 2.06 180.00000 5 3 1 0.15 0.14 180.00000 5 1 10 8.32 7.49 180.00000 9 0 6 12.51 11.13 0.00000 5 2 8 10.83 9.55 0.00000 6 2 7 0.76 0.67 0.00000 7 0 9 0.03 0.02 180.00000 9 1 5 0.01 0.01 180.00000 3 3 5 0.15 0.14 0.00000 1 3 6 20.21 18.24 0.00000 4 3 4 25.18 23.63 180.00000 8 1 7 0.59 0.55 0.00000 6 0 10 5.12 4.91 180.00000 0 2 10 6.51 6.20 180.00000 5 3 2 16.77 16.10 0.00000 10 1 0 18.25 17.43 0.00000 2 0 12 1.76 1.69 180.00000 10 1 1 3.40 3.41 180.00000 1 2 10 1.72 1.74 180.00000 8 0 8 3.74 3.73 180.00000 4 2 9 1.49 1.46 180.00000 7 2 6 0.53 0.51 180.00000 2 3 6 7.09 6.86 180.00000 10 0 4 0.01 0.01 0.00000 8 2 4 10.43 10.23 180.00000 10 1 2 0.64 0.63 0.00000 5 3 3 0.06 0.06 0.00000 2 2 10 10.29 10.39 180.00000 5 0 11 0.52 0.52 0.00000 4 1 11 0.02 0.02 180.00000 3 0 12 5.94 5.60 0.00000 1 1 12 17.96 17.95 0.00000 4 3 5 0.23 0.22 0.00000 10 1 3 2.56 2.59 180.00000 9 1 6 2.35 2.40 0.00000 3 3 6 0.73 0.74 0.00000 9 0 7 0.22 0.20 180.00000 0 3 7 0.00 0.00 0.00000 6 3 0 0.52 0.53 0.00000 7 1 9 0.42 0.42 180.00000 5 3 4 1.07 0.85 0.00000 9 2 1 0.58 0.54 0.00000 6 3 1 0.16 0.15 0.00000 1 3 7 0.37 0.33 180.00000 6 1 10 0.25 0.27 180.00000 3 2 10 11.77 12.25 180.00000 2 1 12 2.21 2.38 0.00000 10 0 5 0.13 0.13 0.00000 8 2 5 0.07 0.07 180.00000