data_7221947 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 9.67494(49) _cell_length_b 3.22534(17) _cell_length_c 11.33068(50) _cod_data_source_file Ca0p9Sr0p1In2O4_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 0.50 0.45 0.00000 1 0 2 4.89 5.06 0.00000 2 0 0 6.00 5.88 0.00000 2 0 1 0.03 0.03 180.00000 2 0 2 1.82 1.83 0.00000 1 0 3 0.20 0.19 180.00000 0 1 1 1.33 1.23 0.00000 3 0 1 0.77 0.69 0.00000 2 0 3 0.34 0.33 180.00000 1 1 1 0.91 0.95 0.00000 0 0 4 29.67 30.50 180.00000 3 0 2 64.46 66.77 0.00000 1 0 4 1.21 1.13 0.00000 1 1 2 72.69 72.57 0.00000 2 1 0 33.62 33.49 180.00000 2 1 1 0.03 0.02 180.00000 0 1 3 0.56 0.52 180.00000 3 0 3 0.15 0.14 0.00000 2 0 4 6.26 6.10 180.00000 2 1 2 2.77 2.68 180.00000 4 0 0 0.59 0.56 180.00000 1 1 3 9.61 9.28 180.00000 4 0 1 0.51 0.51 180.00000 3 1 1 5.46 5.46 180.00000 4 0 2 4.26 4.33 180.00000 1 0 5 0.56 0.58 180.00000 2 1 3 1.65 1.79 180.00000 3 0 4 1.40 1.42 0.00000 3 1 2 2.10 2.08 0.00000 1 1 4 12.28 11.65 0.00000 2 0 5 0.33 0.38 180.00000 4 0 3 0.00 0.00 0.00000 3 1 3 5.82 5.44 0.00000 2 1 4 69.82 66.25 0.00000 4 1 0 42.98 43.04 180.00000 4 1 1 7.03 6.70 0.00000 5 0 1 0.32 0.30 0.00000 0 0 6 2.61 2.68 180.00000 0 1 5 4.24 4.12 180.00000 3 0 5 0.80 0.77 180.00000 1 0 6 3.25 3.14 180.00000 4 0 4 0.85 0.83 0.00000 4 1 2 3.98 3.83 180.00000 5 0 2 11.41 11.02 0.00000 1 1 5 0.01 0.01 180.00000 3 1 4 0.01 0.01 0.00000 2 0 6 11.86 12.09 180.00000 2 1 5 1.04 1.17 0.00000 4 1 3 3.41 3.76 0.00000 5 0 3 0.00 0.00 180.00000 4 0 5 0.48 0.46 180.00000 5 1 1 0.28 0.22 0.00000 3 0 6 39.47 38.53 180.00000 0 2 0 42.02 38.50 180.00000 6 0 0 28.12 25.89 180.00000 3 1 5 0.72 0.68 180.00000 1 1 6 50.88 47.87 180.00000 4 1 4 62.30 59.50 0.00000 5 0 4 3.23 3.08 0.00000 1 0 7 0.31 0.29 0.00000 6 0 1 0.90 0.85 0.00000 5 1 2 43.13 42.21 180.00000 1 2 1 0.00 0.00 0.00000 0 2 2 0.54 0.48 180.00000 6 0 2 1.00 0.88 180.00000 2 1 6 19.76 18.48 0.00000 2 0 7 0.72 0.71 0.00000 1 2 2 5.60 5.36 180.00000 2 2 0 6.22 5.85 180.00000 5 1 3 0.20 0.21 180.00000 2 2 1 0.02 0.02 0.00000 4 0 6 4.32 4.07 0.00000 6 0 3 1.09 1.06 0.00000 2 2 2 1.73 1.75 180.00000 4 1 5 0.76 0.76 180.00000 5 0 5 0.09 0.09 180.00000 1 2 3 0.18 0.18 0.00000 3 1 6 2.18 2.22 180.00000 0 1 7 0.03 0.03 180.00000 3 0 7 0.56 0.55 0.00000 6 1 0 1.98 1.89 180.00000 5 1 4 1.46 1.36 180.00000 3 2 1 0.69 0.64 180.00000 1 1 7 1.28 1.18 0.00000 6 1 1 0.36 0.33 180.00000 2 2 3 0.32 0.30 0.00000 0 0 8 9.15 8.39 0.00000 0 2 4 35.76 33.30 0.00000 1 0 8 8.89 8.31 180.00000 6 0 4 38.63 36.50 0.00000 3 2 2 74.08 73.25 180.00000 6 1 2 1.62 1.60 180.00000 1 2 4 1.58 1.79 180.00000 2 1 7 0.20 0.23 180.00000 7 0 1 0.34 0.36 180.00000 2 0 8 5.02 4.84 0.00000 4 1 6 14.83 14.25 0.00000 5 0 6 4.73 4.55 180.00000 3 2 3 0.04 0.04 180.00000 6 1 3 0.08 0.08 0.00000 2 2 4 7.35 7.50 0.00000 4 0 7 0.12 0.12 180.00000 7 0 2 0.05 0.06 0.00000 4 2 0 0.67 0.69 0.00000 5 1 5 0.91 0.96 0.00000 4 2 1 0.27 0.28 0.00000 3 1 7 2.98 3.02 180.00000 6 0 5 1.11 1.11 180.00000 4 2 2 3.64 3.62 0.00000 1 2 5 0.38 0.37 0.00000 7 0 3 0.06 0.06 0.00000 3 0 8 7.39 7.09 180.00000 3 2 4 2.05 2.02 180.00000 1 1 8 12.91 12.73 180.00000 6 1 4 3.86 3.81 0.00000 2 2 5 0.38 0.39 0.00000 4 2 3 0.00 0.00 180.00000 7 1 1 3.24 3.10 180.00000 2 1 8 17.68 17.71 180.00000 1 0 9 0.11 0.10 180.00000 5 1 6 17.16 16.52 0.00000 7 0 4 0.91 0.88 180.00000 4 1 7 0.27 0.26 180.00000 5 0 7 0.01 0.01 180.00000 7 1 2 36.56 36.43 180.00000 5 2 1 0.35 0.36 180.00000 0 2 6 3.36 3.32 0.00000 6 0 6 3.62 3.58 0.00000 4 0 8 1.12 1.07 180.00000 2 0 9 1.22 1.17 0.00000 3 2 5 0.84 0.81 0.00000 6 1 5 4.54 4.37 0.00000 1 2 6 4.06 3.91 0.00000 4 2 4 1.14 1.11 180.00000 5 2 2 13.07 13.26 180.00000 8 0 0 3.57 3.61 180.00000 7 1 3 5.68 5.95 0.00000 3 1 8 0.13 0.14 180.00000 8 0 1 0.01 0.01 0.00000 2 2 6 13.51 13.45 0.00000 8 0 2 0.54 0.54 180.00000 7 0 5 0.04 0.05 180.00000 5 2 3 0.00 0.00 0.00000 0 1 9 2.73 2.86 0.00000 3 0 9 0.13 0.13 0.00000 1 1 9 0.62 0.61 180.00000 7 1 4 5.70 5.36 180.00000 5 1 7 1.15 1.07 0.00000 4 2 5 0.59 0.51 0.00000 8 0 3 2.34 1.97 0.00000 3 2 6 48.41 46.75 0.00000 6 1 6 0.27 0.26 0.00000 4 1 8 18.52 18.20 180.00000 5 0 8 8.47 8.35 180.00000 6 0 7 0.65 0.64 180.00000 6 2 0 31.57 31.67 0.00000 2 1 9 0.39 0.39 180.00000 5 2 4 4.11 4.02 180.00000 1 2 7 0.40 0.39 180.00000 6 2 1 1.08 1.06 180.00000 0 0 10 4.72 4.65 0.00000 8 1 0 11.67 11.54 0.00000 8 1 1 0.11 0.11 0.00000 1 0 10 1.19 1.28 0.00000 6 2 2 1.03 1.04 0.00000 4 0 9 0.91 0.91 0.00000 7 0 6 0.35 0.34 0.00000 8 0 4 8.10 8.10 0.00000 2 2 7 0.74 0.73 180.00000 8 1 2 0.72 0.71 0.00000 7 1 5 1.54 1.52 0.00000 2 0 10 8.39 8.51 0.00000 3 1 9 0.75 0.76 0.00000 4 2 6 5.00 5.09 180.00000 6 2 3 1.35 1.35 180.00000 5 2 5 0.17 0.17 0.00000 8 1 3 0.31 0.31 180.00000 5 1 8 8.34 7.96 0.00000 3 2 7 0.61 0.58 180.00000 6 1 7 0.79 0.75 180.00000 0 3 1 0.47 0.43 180.00000 9 0 1 1.31 1.18 180.00000 3 0 10 10.45 9.37 0.00000 8 0 5 0.08 0.07 0.00000 0 2 8 12.16 11.26 180.00000 6 0 8 11.16 10.37 180.00000 1 3 1 0.47 0.43 180.00000 1 1 10 15.56 14.10 0.00000 1 2 8 11.44 10.61 0.00000 6 2 4 50.67 47.05 180.00000 9 0 2 22.66 20.95 180.00000 4 1 9 0.84 0.78 0.00000 5 0 9 0.23 0.22 0.00000 7 1 6 31.22 29.63 0.00000 8 1 4 13.72 13.39 180.00000 7 0 7 0.04 0.04 180.00000 1 3 2 28.32 27.48 180.00000 2 3 0 13.04 12.58 0.00000 2 3 1 0.06 0.06 0.00000 7 2 1 0.38 0.37 0.00000 2 1 10 14.85 14.63 180.00000 2 2 8 6.30 6.30 180.00000 5 2 6 6.54 6.39 0.00000 0 3 3 0.07 0.06 0.00000 9 0 3 0.37 0.36 0.00000 4 2 7 0.15 0.14 0.00000 2 3 2 0.94 0.93 0.00000 7 2 2 0.05 0.05 180.00000 1 3 3 2.30 2.40 0.00000 4 0 10 3.57 3.66 180.00000 1 0 11 0.18 0.18 180.00000 6 2 5 1.36 1.34 0.00000 8 0 6 5.92 5.86 0.00000 3 3 1 1.32 1.27 0.00000 9 1 1 0.00 0.00 180.00000 3 1 10 0.01 0.01 180.00000 8 1 5 0.32 0.31 180.00000 2 3 3 0.37 0.36 0.00000 7 2 3 0.08 0.08 180.00000 3 2 8 9.54 9.42 0.00000 6 1 8 3.25 3.21 180.00000 2 0 11 0.08 0.08 0.00000 9 0 4 0.74 0.76 180.00000 3 3 2 0.77 0.81 180.00000 9 1 2 7.25 7.57 180.00000 5 1 9 2.51 2.61 180.00000 1 3 4 4.11 4.28 180.00000 7 1 7 0.93 0.97 180.00000 6 0 9 0.01 0.01 180.00000 7 0 8 1.78 1.65 0.00000 1 2 9 0.11 0.10 0.00000 3 3 3 1.99 1.95 180.00000 9 1 3 0.73 0.72 180.00000 2 3 4 25.69 25.04 180.00000 7 2 4 1.24 1.21 0.00000 5 2 7 0.03 0.03 0.00000 4 3 0 17.68 16.70 0.00000 0 1 11 0.21 0.20 180.00000 3 0 11 0.00 0.00 180.00000 4 3 1 2.41 2.37 180.00000 4 1 10 20.25 20.14 180.00000 5 0 10 4.43 4.42 0.00000 1 1 11 0.02 0.02 0.00000 6 2 6 4.91 4.83 180.00000 4 2 8 1.44 1.43 0.00000 2 2 9 1.45 1.50 180.00000 0 3 5 1.47 1.53 0.00000 9 0 5 1.15 1.20 0.00000 8 1 6 5.06 5.27 180.00000 8 0 7 1.17 1.21 180.00000 4 3 2 1.37 1.42 0.00000 8 2 0 4.87 5.04 0.00000 10 0 0 0.05 0.05 180.00000 1 3 5 0.01 0.01 0.00000 8 2 1 0.03 0.03 180.00000 10 0 1 0.01 0.01 0.00000 2 1 11 2.55 2.82 0.00000 3 3 4 0.01 0.01 180.00000 9 1 4 0.06 0.06 180.00000 8 2 2 0.78 0.79 0.00000 10 0 2 0.11 0.11 0.00000 2 3 5 0.47 0.47 180.00000 7 2 5 0.05 0.05 0.00000 4 3 3 1.45 1.43 180.00000 3 2 9 0.19 0.19 180.00000 6 1 9 4.53 4.44 180.00000 4 0 11 0.18 0.18 0.00000 7 1 8 16.32 15.95 0.00000 0 0 12 1.41 1.35 180.00000 1 0 12 6.33 6.10 0.00000 3 1 11 2.56 2.44 0.00000 8 2 3 2.75 2.58 180.00000 10 0 3 0.17 0.15 0.00000 5 3 1 0.07 0.07 180.00000 5 1 10 8.49 7.92 180.00000 9 0 6 13.30 12.40 0.00000 5 2 8 12.82 11.80 0.00000 6 2 7 0.99 0.91 0.00000 7 0 9 0.06 0.05 180.00000 3 3 5 0.23 0.22 0.00000 9 1 5 0.04 0.04 0.00000 1 3 6 21.49 20.47 0.00000 4 3 4 26.60 25.70 180.00000 8 1 7 1.05 1.02 0.00000 5 3 2 18.90 18.38 0.00000 0 2 10 6.65 6.46 180.00000 6 0 10 4.97 4.83 180.00000 2 0 12 2.09 2.01 180.00000 10 1 0 18.42 17.78 0.00000 10 1 1 5.48 5.35 180.00000 1 2 10 1.89 1.87 180.00000 8 0 8 3.59 3.63 180.00000 4 2 9 1.22 1.21 180.00000 2 3 6 7.64 7.59 180.00000 7 2 6 0.44 0.43 180.00000 8 2 4 11.57 11.32 180.00000 10 0 4 0.08 0.08 0.00000 10 1 2 1.08 1.05 0.00000 5 3 3 0.12 0.12 0.00000 2 2 10 12.30 12.19 180.00000 4 1 11 0.00 0.00 180.00000 5 0 11 0.76 0.75 0.00000 3 0 12 6.18 6.04 0.00000 1 1 12 21.60 22.12 0.00000 4 3 5 0.49 0.49 0.00000 10 1 3 3.96 3.91 180.00000 3 3 6 0.92 0.90 0.00000 9 1 6 4.02 3.93 0.00000 0 3 7 0.00 0.00 0.00000 9 0 7 0.45 0.43 180.00000 6 3 0 0.99 0.97 0.00000 7 1 9 0.83 0.81 180.00000 5 3 4 0.84 0.84 0.00000 1 3 7 0.53 0.54 180.00000 6 3 1 0.20 0.21 0.00000 9 2 1 1.68 1.70 0.00000 3 2 10 13.13 13.30 180.00000 6 1 10 0.38 0.38 180.00000 2 1 12 2.98 3.00 0.00000 8 2 5 0.09 0.09 180.00000 10 0 5 0.03 0.03 0.00000 6 2 8 15.45 15.14 0.00000