#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/44/2104452.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2104452_Fobs loop_ _publ_author_name 'Posse, Jose Maria' 'Grzechnik, Andrzej' 'Friese, Karen' _publ_section_title ; Ternary fluorides BaMF~4~ (M = Zn, Mg and Mn) at low temperatures ; _journal_coeditor_code SN5085 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 576 _journal_page_last 586 _journal_volume 65 _journal_year 2009 _space_group_IT_number 36 _symmetry_space_group_name_Hall 'C 2c -2' _symmetry_space_group_name_H-M 'C m c 21' _[local]_cod_data_source_file sn5085BaMgF4200Ksup3.hkl _[local]_cod_data_source_block BaMgF4200K loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_meas _refln_F_calc _refln_F_sigma _refln_observed_status 3 1 -7 29.89 29.59 0.32 o 2 2 -7 52.84 50.51 0.54 o 3 3 -7 16.53 16.76 0.23 o 2 4 -7 29.73 29.00 0.32 o 1 5 -7 47.71 44.98 0.53 o 3 5 -7 38.32 38.74 0.39 o 2 6 -7 22.34 22.19 0.27 o 1 7 -7 6.07 5.89 0.70 o 0 8 -7 46.38 43.70 0.50 o 2 8 -7 39.37 40.44 0.41 o 1 9 -7 35.18 34.54 0.38 o 0 10 -7 12.46 12.15 0.36 o 2 10 -7 10.35 11.08 0.27 o 1 11 -7 31.26 31.34 0.33 o 0 12 -7 33.64 32.06 0.37 o 2 0 -6 57.68 56.52 0.59 o 4 0 -6 43.09 44.15 0.44 o 3 1 -6 27.22 26.94 0.29 o 2 2 -6 11.18 10.34 0.23 o 4 2 -6 8.86 8.27 0.24 o 1 3 -6 67.37 64.52 0.69 o 3 3 -6 54.57 53.49 0.55 o 2 4 -6 41.59 41.37 0.42 o 4 4 -6 32.29 32.99 0.33 o 1 5 -6 3.07 1.97 0.88 < 3 5 -6 3.45 1.53 0.54 o 0 6 -6 42.78 40.23 0.45 o 2 6 -6 37.42 36.82 0.38 o 4 6 -6 28.55 29.17 0.30 o 1 7 -6 52.88 50.53 0.53 o 3 7 -6 42.98 43.07 0.44 o 0 8 -6 26.61 25.30 0.30 o 2 8 -6 23.92 22.92 0.26 o 1 9 -6 29.62 27.87 0.31 o 3 9 -6 23.92 23.67 0.25 o 0 10 -6 48.99 46.91 0.50 o 2 10 -6 44.65 43.23 0.45 o 1 11 -6 30.52 29.39 0.31 o 3 11 -6 24.75 25.26 0.26 o 0 12 -6 9.07 8.34 0.27 o 2 12 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17 -5 8.76 8.33 0.20 o 4 0 -4 69.15 68.45 0.70 o 1 1 -4 44.09 43.57 0.45 o 3 1 -4 34.60 34.91 0.35 o 5 1 -4 25.51 25.30 0.27 o 0 2 -4 40.29 39.06 0.45 o 2 2 -4 31.51 32.23 0.32 o 4 2 -4 21.57 21.60 0.23 o 1 3 -4 53.50 52.76 0.54 o 3 3 -4 45.44 46.04 0.46 o 5 3 -4 34.95 34.99 0.36 o 2 4 -4 71.26 70.26 0.71 o 4 4 -4 51.68 51.61 0.52 o 1 5 -4 6.37 5.24 0.24 o 3 5 -4 4.53 3.65 0.29 o 5 5 -4 2.86 2.75 0.65 < 0 6 -4 46.86 52.58 0.48 o 2 6 -4 47.98 47.16 0.48 o 4 6 -4 36.19 36.32 0.37 o 1 7 -4 74.41 73.10 0.75 o 3 7 -4 60.09 59.51 0.60 o 5 7 -4 42.22 42.62 0.43 o 0 8 -4 11.14 10.95 0.22 o 2 8 -4 11.67 11.16 0.16 o 4 8 -4 10.23 10.27 0.18 o 1 9 -4 28.32 28.18 0.29 o 3 9 -4 24.31 23.85 0.25 o 0 10 -4 48.83 52.36 0.49 o 2 10 -4 49.00 48.27 0.49 o 4 10 -4 38.86 38.73 0.39 o 1 11 -4 49.91 48.79 0.50 o 3 11 -4 40.89 39.96 0.41 o 0 12 -4 24.50 24.34 0.26 o 2 12 -4 21.81 21.41 0.23 o 4 12 -4 16.17 15.65 0.19 o 1 13 -4 43.30 42.80 0.44 o 3 13 -4 36.91 36.55 0.37 o 0 14 -4 46.77 45.71 0.47 o 2 14 -4 43.03 41.94 0.43 o 1 15 -4 13.90 13.63 0.17 o 3 15 -4 11.82 11.33 0.17 o 0 16 -4 30.86 30.48 0.32 o 2 16 -4 28.36 28.19 0.29 o 1 17 -4 36.84 35.55 0.37 o 0 18 -4 21.96 22.44 0.24 o 3 1 -3 56.31 56.26 0.57 o 5 1 -3 39.76 39.62 0.40 o 2 2 -3 66.22 65.38 0.66 o 4 2 -3 48.59 49.36 0.49 o 1 3 -3 46.84 45.57 0.47 o 3 3 -3 34.10 33.97 0.35 o 5 3 -3 22.40 21.95 0.24 o 2 4 -3 72.20 71.11 0.72 o 4 4 -3 47.06 47.89 0.47 o 3 5 -3 58.64 58.68 0.59 o 5 5 -3 43.29 43.08 0.44 o 0 6 -3 58.69 57.67 0.59 o 2 6 -3 51.13 50.17 0.51 o 4 6 -3 36.56 36.76 0.37 o 1 7 -3 16.82 16.34 0.19 o 3 7 -3 13.55 13.00 0.17 o 5 7 -3 9.36 9.52 0.19 o 0 8 -3 78.09 77.76 0.78 o 2 8 -3 69.83 69.50 0.70 o 4 8 -3 52.55 52.24 0.53 o 1 9 -3 65.29 64.86 0.65 o 3 9 -3 52.14 52.04 0.52 o 5 9 -3 36.25 37.72 0.37 o 0 10 -3 20.05 19.36 0.23 o 2 10 -3 17.05 16.73 0.19 o 4 10 -3 12.24 11.74 0.17 o 1 11 -3 41.55 41.43 0.42 o 3 11 -3 35.32 34.99 0.36 o 0 12 -3 62.81 62.63 0.63 o 2 12 -3 57.09 56.72 0.57 o 4 12 -3 44.60 43.92 0.45 o 1 13 -3 17.01 16.66 0.19 o 3 13 -3 15.36 14.50 0.18 o 0 14 -3 21.03 21.97 0.23 o 2 14 -3 20.05 19.60 0.21 o 4 14 -3 15.22 15.00 0.18 o 1 15 -3 56.40 55.08 0.57 o 3 15 -3 46.94 46.15 0.47 o 0 16 -3 23.47 22.96 0.25 o 2 16 -3 21.61 21.61 0.22 o 1 17 -3 6.53 6.16 0.19 o 3 17 -3 6.00 5.23 0.23 o 0 18 -3 35.16 34.14 0.36 o 2 18 -3 32.49 31.72 0.33 o 1 19 -3 34.31 33.60 0.35 o 0 20 -3 4.60 3.43 0.44 o 4 0 -2 64.88 65.84 0.65 o 3 1 -2 51.47 51.93 0.52 o 5 1 -2 33.82 34.20 0.34 o 0 2 -2 8.05 7.50 0.46 o 2 2 -2 5.70 5.60 0.26 o 4 2 -2 7.50 6.78 0.21 o 3 3 -2 80.15 80.49 0.80 o 5 3 -2 54.07 54.04 0.54 o 4 4 -2 57.79 58.66 0.58 o 1 5 -2 25.51 25.10 0.26 o 3 5 -2 14.73 14.81 0.18 o 5 5 -2 7.45 6.89 0.23 o 0 6 -2 31.50 31.70 0.33 o 2 6 -2 29.65 29.33 0.30 o 4 6 -2 24.96 25.63 0.26 o 1 7 -2 88.24 86.02 0.89 o 3 7 -2 69.23 68.94 0.69 o 5 7 -2 47.57 48.31 0.48 o 0 8 -2 34.30 34.58 0.35 o 2 8 -2 29.20 29.41 0.30 o 4 8 -2 21.24 21.15 0.22 o 1 9 -2 49.79 49.82 0.50 o 3 9 -2 38.07 38.63 0.38 o 5 9 -2 26.43 26.83 0.27 o 0 10 -2 67.06 67.01 0.67 o 2 10 -2 60.68 60.11 0.61 o 4 10 -2 47.04 46.18 0.47 o 1 11 -2 46.50 46.39 0.47 o 3 11 -2 38.57 38.41 0.39 o 5 11 -2 27.48 27.60 0.28 o 0 12 -2 27.39 27.55 0.28 o 2 12 -2 23.65 23.80 0.24 o 4 12 -2 16.03 16.59 0.18 o 1 13 -2 45.93 46.08 0.46 o 3 13 -2 39.61 39.39 0.40 o 0 14 -2 59.76 59.85 0.60 o 2 14 -2 54.50 54.06 0.55 o 4 14 -2 42.18 41.74 0.42 o 1 15 -2 10.55 10.36 0.15 o 3 15 -2 8.93 8.38 0.16 o 0 16 -2 39.11 39.12 0.40 o 2 16 -2 36.13 35.62 0.36 o 1 17 -2 40.12 39.18 0.40 o 3 17 -2 34.03 33.99 0.34 o 0 18 -2 27.13 26.95 0.28 o 2 18 -2 25.01 24.70 0.25 o 1 19 -2 18.34 17.41 0.20 o 0 20 -2 30.27 29.51 0.31 o 3 1 -1 69.51 69.45 0.70 o 5 1 -1 46.56 46.58 0.47 o 2 2 -1 65.53 65.18 0.66 o 4 2 -1 48.43 49.30 0.49 o 6 2 -1 33.89 35.01 0.34 o 1 3 -1 37.56 37.61 0.38 o 3 3 -1 30.00 29.93 0.31 o 5 3 -1 20.75 20.19 0.22 o 2 4 -1 71.04 69.91 0.71 o 4 4 -1 46.32 46.90 0.47 o 3 5 -1 77.01 77.68 0.77 o 5 5 -1 53.11 53.04 0.53 o 0 6 -1 65.71 65.53 0.66 o 2 6 -1 55.59 54.89 0.56 o 4 6 -1 38.60 39.00 0.39 o 1 7 -1 13.28 13.13 0.17 o 3 7 -1 10.11 10.29 0.16 o 5 7 -1 8.99 8.19 0.21 o 4 8 -1 66.02 66.28 0.66 o 1 9 -1 55.23 55.48 0.55 o 3 9 -1 45.19 45.61 0.45 o 5 9 -1 33.95 34.16 0.34 o 0 10 -1 35.93 36.17 0.36 o 2 10 -1 29.50 29.48 0.30 o 4 10 -1 19.11 18.66 0.20 o 1 11 -1 58.35 58.73 0.58 o 3 11 -1 43.00 46.45 0.43 o 5 11 -1 32.37 32.56 0.33 o 0 12 -1 64.36 65.27 0.65 o 2 12 -1 58.24 59.00 0.58 o 4 12 -1 45.67 45.49 0.46 o 1 13 -1 22.88 22.84 0.24 o 3 13 -1 20.25 19.26 0.21 o 0 14 -1 17.28 17.13 0.20 o 2 14 -1 16.06 16.06 0.18 o 4 14 -1 14.02 13.53 0.17 o 1 15 -1 55.20 55.34 0.55 o 3 15 -1 47.08 46.33 0.47 o 0 16 -1 27.74 27.94 0.29 o 2 16 -1 26.22 25.79 0.27 o 4 16 -1 20.71 20.91 0.22 o 1 17 -1 12.88 12.57 0.15 o 3 17 -1 10.46 10.14 0.16 o 0 18 -1 36.69 35.57 0.37 o 2 18 -1 34.00 32.99 0.34 o 1 19 -1 40.90 40.76 0.41 o 0 20 -1 4.81 4.78 0.34 o 2 20 -1 4.71 4.25 0.30 o 1 21 -1 17.46 17.93 0.19 o 4 0 0 100.00 102.16 1.00 o 6 0 0 62.79 63.00 0.63 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19.47 18.93 0.21 o 1 11 1 60.94 61.06 0.61 o 3 11 1 47.87 48.31 0.48 o 5 11 1 33.73 33.97 0.34 o 0 12 1 62.71 63.53 0.63 o 2 12 1 56.70 57.49 0.57 o 4 12 1 44.65 44.39 0.45 o 1 13 1 22.77 22.70 0.23 o 3 13 1 19.37 19.13 0.20 o 0 14 1 14.22 16.12 0.19 o 2 14 1 15.52 15.19 0.17 o 4 14 1 13.13 12.87 0.16 o 1 15 1 55.23 55.17 0.55 o 3 15 1 46.93 46.20 0.47 o 0 16 1 30.14 30.29 0.31 o 2 16 1 28.54 27.92 0.29 o 4 16 1 22.11 22.61 0.23 o 1 17 1 13.13 13.25 0.16 o 3 17 1 10.77 10.75 0.17 o 0 18 1 36.80 35.40 0.37 o 2 18 1 33.85 32.82 0.34 o 1 19 1 40.20 39.67 0.40 o 0 20 1 6.15 6.06 0.31 o 2 20 1 5.21 5.50 0.27 o 1 21 1 17.54 17.78 0.19 o 4 0 2 65.87 65.54 0.66 o 3 1 2 51.14 51.16 0.51 o 5 1 2 33.61 33.71 0.34 o 0 2 2 5.95 4.38 0.51 o 2 2 2 4.38 3.32 0.36 o 4 2 2 6.61 6.37 0.26 o 3 3 2 81.99 81.20 0.82 o 5 3 2 55.20 54.51 0.55 o 2 4 2 84.84 82.42 0.85 o 4 4 2 57.85 57.84 0.58 o 1 5 2 25.35 25.14 0.26 o 3 5 2 15.09 14.85 0.18 o 5 5 2 6.96 6.93 0.27 o 0 6 2 37.13 37.33 0.38 o 2 6 2 34.34 33.88 0.35 o 4 6 2 28.04 28.32 0.29 o 1 7 2 86.21 85.17 0.87 o 3 7 2 67.69 68.24 0.68 o 5 7 2 48.43 47.84 0.49 o 0 8 2 35.24 35.77 0.36 o 2 8 2 29.95 30.46 0.30 o 4 8 2 21.45 21.91 0.22 o 1 9 2 48.65 49.43 0.49 o 3 9 2 37.33 38.31 0.38 o 5 9 2 27.01 26.59 0.28 o 0 10 2 67.39 68.07 0.68 o 2 10 2 60.56 61.06 0.61 o 4 10 2 47.21 46.89 0.47 o 1 11 2 45.85 45.81 0.46 o 3 11 2 38.03 37.94 0.38 o 5 11 2 27.34 27.29 0.28 o 0 12 2 26.36 26.91 0.28 o 2 12 2 22.95 23.20 0.24 o 4 12 2 16.26 16.09 0.18 o 1 13 2 45.53 46.28 0.46 o 3 13 2 39.50 39.54 0.40 o 0 14 2 58.54 59.01 0.59 o 2 14 2 53.21 53.29 0.53 o 4 14 2 41.33 41.11 0.42 o 1 15 2 10.29 10.88 0.14 o 3 15 2 8.88 8.83 0.16 o 0 16 2 39.42 39.40 0.40 o 2 16 2 35.85 35.88 0.36 o 1 17 2 39.79 39.19 0.40 o 3 17 2 34.02 33.99 0.34 o 0 18 2 27.21 26.66 0.28 o 2 18 2 24.62 24.43 0.25 o 1 19 2 17.28 17.66 0.19 o 0 20 2 29.65 29.06 0.31 o 3 1 3 56.50 56.10 0.57 o 5 1 3 40.44 39.48 0.41 o 4 2 3 51.03 51.06 0.51 o 1 3 3 44.46 44.86 0.45 o 3 3 3 33.43 33.35 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19 3 34.04 34.06 0.34 o 0 20 3 4.05 2.57 0.50 o 4 0 4 68.26 66.76 0.69 o 3 1 4 35.76 35.96 0.37 o 5 1 4 26.32 25.98 0.28 o 2 2 4 33.59 33.39 0.35 o 4 2 4 23.21 22.52 0.25 o 1 3 4 49.63 52.25 0.52 o 3 3 4 45.33 45.72 0.46 o 5 3 4 35.64 34.82 0.36 o 2 4 4 68.62 69.58 0.69 o 4 4 4 51.88 51.05 0.52 o 1 5 4 5.81 5.54 0.25 o 3 5 4 4.94 3.93 0.39 o 5 5 4 4.30 2.92 0.48 o 0 6 4 54.03 54.26 0.55 o 2 6 4 47.59 48.69 0.48 o 4 6 4 37.87 37.47 0.39 o 1 7 4 71.91 73.63 0.72 o 3 7 4 58.94 59.91 0.59 o 5 7 4 43.23 42.98 0.44 o 0 8 4 12.09 11.96 0.19 o 2 8 4 12.40 12.00 0.16 o 4 8 4 10.90 10.85 0.21 o 1 9 4 27.21 28.19 0.28 o 3 9 4 23.86 23.87 0.25 o 0 10 4 51.34 52.74 0.52 o 2 10 4 47.28 48.62 0.47 o 4 10 4 38.72 38.98 0.39 o 1 11 4 47.16 48.42 0.47 o 3 11 4 39.20 39.64 0.39 o 0 12 4 22.00 23.11 0.24 o 2 12 4 19.89 20.24 0.21 o 4 12 4 14.28 14.63 0.18 o 1 13 4 42.26 43.47 0.42 o 3 13 4 36.43 37.08 0.37 o 0 14 4 44.32 45.34 0.45 o 2 14 4 41.41 41.60 0.42 o 1 15 4 13.00 12.86 0.17 o 3 15 4 10.63 10.64 0.17 o 0 16 4 28.77 29.15 0.30 o 2 16 4 26.31 26.95 0.27 o 1 17 4 36.22 36.25 0.37 o 0 18 4 20.76 21.84 0.23 o 3 1 5 51.38 51.93 0.52 o 2 2 5 50.76 52.28 0.53 o 4 2 5 42.33 41.35 0.43 o 3 3 5 20.62 20.46 0.24 o 0 4 5 35.49 35.62 0.39 o 2 4 5 31.23 32.41 0.33 o 4 4 5 25.90 25.11 0.28 o 1 5 5 64.52 66.05 0.65 o 3 5 5 54.03 54.86 0.55 o 0 6 5 42.72 43.20 0.44 o 2 6 5 37.12 39.03 0.38 o 4 6 5 30.94 30.15 0.32 o 1 7 5 20.74 21.66 0.22 o 3 7 5 17.31 17.33 0.21 o 0 8 5 59.10 60.84 0.60 o 2 8 5 52.58 54.83 0.53 o 4 8 5 42.25 42.03 0.43 o 1 9 5 42.36 43.97 0.43 o 3 9 5 37.05 37.36 0.38 o 0 10 5 21.90 22.51 0.24 o 2 10 5 19.66 19.70 0.21 o 4 10 5 12.12 14.18 0.24 o 1 11 5 38.21 38.89 0.39 o 3 11 5 32.80 33.05 0.33 o 0 12 5 47.92 49.70 0.48 o 2 12 5 44.58 45.71 0.45 o 1 13 5 17.29 17.91 0.19 o 3 13 5 12.75 15.51 0.17 o 0 14 5 17.23 17.45 0.21 o 2 14 5 15.98 16.24 0.19 o 1 15 5 38.49 39.57 0.39 o 0 16 5 25.29 26.22 0.27 o 2 16 5 20.30 24.46 0.22 o 1 17 5 8.26 8.64 0.20 o 0 6 6 42.89 42.46 0.45 o 1 7 6 48.45 49.58 0.50 o 0 8 6 26.20 26.30 0.30 o 2 8 6 21.89 23.86 0.29 o 1 9 6 26.81 27.08 0.29 o 0 10 6 47.30 48.44 0.48 o 2 10 6 43.16 44.64 0.44 o 1 11 6 27.50 28.61 0.29 o 0 12 6 7.87 7.51 0.35 o 2 12 6 6.75 6.91 0.28 o 1 13 6 31.69 33.39 0.33 o 0 14 6 29.98 33.02 0.33 o 1 15 6 7.82 8.61 0.29 o