#------------------------------------------------------------------------------ #$Date: 2009-11-11 20:41:08 +0200 (Wed, 11 Nov 2009) $ #$Revision: 840 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2104453.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_2104453_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 sn5085BaMgF4150Ksup4.hkl _[local]_cod_data_source_block BaMgF4150K 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 29.34 29.25 0.31 o 2 2 -7 50.62 50.62 0.52 o 3 3 -7 16.00 16.53 0.24 o 2 4 -7 28.57 28.45 0.32 o 1 5 -7 44.91 44.59 0.50 o 3 5 -7 38.39 38.71 0.39 o 2 6 -7 22.03 22.26 0.27 o 1 7 -7 5.12 5.11 0.86 < 0 8 -7 43.68 43.63 0.47 o 2 8 -7 39.53 40.50 0.41 o 1 9 -7 33.51 34.59 0.36 o 0 10 -7 11.12 11.33 0.38 o 2 10 -7 9.73 10.38 0.29 o 1 11 -7 30.35 31.70 0.32 o 0 12 -7 29.75 32.64 0.35 o 2 0 -6 54.69 54.21 0.56 o 4 0 -6 42.83 42.97 0.44 o 3 1 -6 26.46 26.59 0.28 o 2 2 -6 10.60 10.14 0.25 o 4 2 -6 8.67 8.12 0.28 o 1 3 -6 63.79 63.47 0.65 o 3 3 -6 53.15 52.95 0.54 o 2 4 -6 40.36 40.03 0.41 o 4 4 -6 31.92 32.40 0.33 o 1 5 -6 3.16 1.69 0.92 < 3 5 -6 3.30 1.15 0.64 < 0 6 -6 39.63 39.66 0.43 o 2 6 -6 36.99 36.43 0.38 o 4 6 -6 28.72 29.18 0.31 o 1 7 -6 50.36 49.75 0.51 o 3 7 -6 42.95 42.69 0.44 o 0 8 -6 25.44 25.37 0.30 o 2 8 -6 23.33 23.09 0.25 o 1 9 -6 28.20 27.84 0.30 o 3 9 -6 24.03 23.79 0.26 o 0 10 -6 47.09 47.13 0.48 o 2 10 -6 43.62 43.63 0.44 o 1 11 -6 29.06 29.13 0.30 o 3 11 -6 24.63 25.30 0.26 o 0 12 -6 8.93 7.91 0.32 o 2 12 -6 7.86 7.34 0.24 o 1 13 -6 34.16 34.73 0.35 o 0 14 -6 33.00 34.28 0.35 o 1 15 -6 7.66 7.98 0.25 o 1 1 -5 62.34 62.03 0.64 o 3 1 -5 50.61 50.54 0.51 o 2 2 -5 49.10 49.22 0.50 o 4 2 -5 39.68 39.33 0.40 o 1 3 -5 24.23 23.90 0.27 o 3 3 -5 20.10 19.82 0.23 o 0 4 -5 35.46 35.56 0.39 o 2 4 -5 32.64 32.50 0.34 o 4 4 -5 25.67 25.53 0.27 o 1 5 -5 63.96 64.05 0.64 o 3 5 -5 53.69 53.45 0.54 o 0 6 -5 41.84 41.94 0.43 o 2 6 -5 37.61 38.05 0.38 o 4 6 -5 29.81 29.79 0.31 o 1 7 -5 20.11 20.13 0.22 o 3 7 -5 16.24 16.12 0.20 o 0 8 -5 61.70 62.00 0.62 o 2 8 -5 55.64 56.19 0.56 o 4 8 -5 43.60 43.83 0.44 o 1 9 -5 41.15 41.47 0.42 o 3 9 -5 35.92 35.45 0.36 o 0 10 -5 21.36 21.32 0.24 o 2 10 -5 19.03 18.81 0.21 o 4 10 -5 13.85 13.88 0.20 o 1 11 -5 38.32 38.45 0.39 o 3 11 -5 33.01 32.83 0.34 o 0 12 -5 49.16 49.34 0.50 o 2 12 -5 45.63 45.57 0.46 o 1 13 -5 18.22 18.40 0.20 o 3 13 -5 16.11 16.06 0.20 o 0 14 -5 18.23 17.89 0.23 o 2 14 -5 16.84 16.73 0.20 o 1 15 -5 40.26 40.29 0.41 o 0 16 -5 25.84 26.10 0.28 o 2 16 -5 23.16 24.38 0.25 o 1 17 -5 8.05 7.77 0.23 o 4 0 -4 66.78 66.41 0.67 o 1 1 -4 41.91 41.45 0.43 o 3 1 -4 33.53 33.38 0.34 o 5 1 -4 24.92 24.49 0.27 o 0 2 -4 37.42 37.58 0.43 o 2 2 -4 31.17 31.13 0.32 o 4 2 -4 21.36 21.12 0.24 o 1 3 -4 50.09 49.99 0.51 o 3 3 -4 43.73 43.98 0.44 o 5 3 -4 34.28 33.96 0.35 o 2 4 -4 67.61 67.42 0.68 o 4 4 -4 50.48 49.98 0.51 o 1 5 -4 5.83 5.23 0.27 o 3 5 -4 4.09 3.72 0.35 o 5 5 -4 4.23 2.73 0.46 o 0 6 -4 50.77 51.23 0.52 o 2 6 -4 45.14 45.98 0.45 o 4 6 -4 35.71 35.60 0.37 o 1 7 -4 71.00 70.86 0.71 o 3 7 -4 57.72 58.13 0.58 o 5 7 -4 42.56 42.41 0.43 o 0 8 -4 10.96 10.79 0.22 o 2 8 -4 11.21 10.91 0.17 o 4 8 -4 10.17 9.98 0.19 o 1 9 -4 27.26 27.27 0.28 o 3 9 -4 23.27 23.34 0.24 o 0 10 -4 50.97 51.83 0.51 o 2 10 -4 47.66 47.80 0.48 o 4 10 -4 38.63 38.53 0.39 o 1 11 -4 45.51 47.82 0.46 o 3 11 -4 39.79 39.55 0.40 o 0 12 -4 23.65 24.07 0.25 o 2 12 -4 21.39 21.28 0.23 o 4 12 -4 15.99 15.78 0.20 o 1 13 -4 41.10 42.56 0.41 o 3 13 -4 36.71 36.69 0.37 o 0 14 -4 45.88 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0.63 o 5 7 -2 46.85 47.02 0.47 o 0 8 -2 32.97 33.11 0.34 o 2 8 -2 28.25 28.27 0.29 o 4 8 -2 20.49 20.55 0.22 o 1 9 -2 47.72 47.84 0.48 o 3 9 -2 36.84 37.27 0.37 o 5 9 -2 26.33 26.23 0.27 o 0 10 -2 64.76 65.34 0.65 o 2 10 -2 58.44 58.76 0.59 o 4 10 -2 45.68 45.61 0.46 o 1 11 -2 44.81 44.96 0.45 o 3 11 -2 37.39 37.58 0.38 o 5 11 -2 27.25 27.54 0.28 o 0 12 -2 26.36 26.64 0.28 o 2 12 -2 23.18 23.27 0.24 o 4 12 -2 17.18 16.74 0.19 o 1 13 -2 45.37 46.06 0.46 o 3 13 -2 39.41 39.39 0.40 o 0 14 -2 58.84 59.40 0.59 o 2 14 -2 53.84 53.86 0.54 o 4 14 -2 42.24 42.10 0.43 o 1 15 -2 10.42 10.24 0.17 o 3 15 -2 8.99 8.51 0.18 o 0 16 -2 38.54 38.77 0.39 o 2 16 -2 35.80 35.55 0.36 o 1 17 -2 40.68 40.71 0.41 o 3 17 -2 35.09 35.51 0.36 o 0 18 -2 27.54 27.37 0.29 o 2 18 -2 25.45 25.20 0.26 o 1 19 -2 18.15 17.93 0.20 o 0 20 -2 30.77 31.35 0.32 o 1 1 -1 88.12 89.19 0.89 o 3 1 -1 65.60 65.94 0.66 o 5 1 -1 44.89 44.82 0.45 o 0 2 -1 74.55 72.65 0.76 o 2 2 -1 61.28 61.79 0.61 o 4 2 -1 45.92 46.67 0.46 o 6 2 -1 33.16 33.56 0.34 o 1 3 -1 34.74 35.44 0.35 o 3 3 -1 28.59 28.46 0.29 o 5 3 -1 20.03 19.62 0.22 o 0 4 -1 79.70 81.04 0.81 o 2 4 -1 66.65 66.64 0.67 o 4 4 -1 44.43 45.08 0.45 o 3 5 -1 72.96 74.25 0.73 o 5 5 -1 51.56 51.16 0.52 o 0 6 -1 62.72 62.44 0.63 o 2 6 -1 52.20 52.24 0.52 o 4 6 -1 37.06 37.48 0.37 o 1 7 -1 12.73 12.49 0.18 o 3 7 -1 9.68 9.85 0.16 o 5 7 -1 8.89 7.89 0.22 o 2 8 -1 89.26 90.48 0.89 o 4 8 -1 63.72 64.52 0.64 o 1 9 -1 53.16 53.73 0.53 o 3 9 -1 43.64 44.21 0.44 o 5 9 -1 33.19 33.41 0.34 o 0 10 -1 34.72 34.76 0.36 o 2 10 -1 28.37 28.49 0.29 o 4 10 -1 18.65 18.40 0.21 o 1 11 -1 56.55 57.03 0.57 o 3 11 -1 44.98 45.40 0.45 o 5 11 -1 32.17 32.32 0.33 o 0 12 -1 62.69 63.55 0.63 o 2 12 -1 56.34 57.65 0.56 o 4 12 -1 44.79 44.99 0.45 o 1 13 -1 22.97 22.83 0.24 o 3 13 -1 19.95 19.28 0.21 o 0 14 -1 17.40 17.48 0.21 o 2 14 -1 16.34 16.36 0.18 o 4 14 -1 13.70 13.75 0.17 o 1 15 -1 54.48 54.89 0.55 o 3 15 -1 47.03 46.41 0.47 o 0 16 -1 28.59 28.63 0.30 o 2 16 -1 26.61 26.46 0.27 o 4 16 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o 5 5 1 52.20 51.97 0.53 o 0 6 1 60.76 60.12 0.61 o 2 6 1 50.33 50.28 0.51 o 4 6 1 35.86 36.20 0.36 o 1 7 1 11.74 11.37 0.18 o 3 7 1 9.37 9.18 0.16 o 5 7 1 7.84 7.53 0.25 o 2 8 1 89.90 89.64 0.90 o 4 8 1 63.31 63.85 0.63 o 1 9 1 53.39 54.25 0.54 o 3 9 1 44.11 44.65 0.44 o 5 9 1 33.88 33.72 0.34 o 0 10 1 35.05 35.09 0.36 o 2 10 1 28.89 28.78 0.29 o 4 10 1 18.68 18.64 0.20 o 1 11 1 59.23 59.34 0.59 o 3 11 1 46.80 47.23 0.47 o 5 11 1 33.95 33.73 0.35 o 0 12 1 61.56 61.86 0.62 o 2 12 1 55.64 56.17 0.56 o 4 12 1 44.28 43.89 0.44 o 1 13 1 22.81 22.68 0.24 o 3 13 1 19.39 19.15 0.21 o 0 14 1 16.38 16.54 0.21 o 2 14 1 15.79 15.54 0.18 o 4 14 1 13.63 13.12 0.18 o 1 15 1 54.74 54.70 0.55 o 3 15 1 47.22 46.26 0.47 o 0 16 1 30.51 30.97 0.31 o 2 16 1 29.20 28.60 0.30 o 4 16 1 22.99 23.30 0.24 o 1 17 1 12.96 13.11 0.17 o 3 17 1 10.74 10.75 0.18 o 0 18 1 37.60 36.84 0.38 o 2 18 1 34.72 34.26 0.35 o 1 19 1 41.28 40.77 0.42 o 0 20 1 6.42 6.37 0.25 o 2 20 1 5.87 5.85 0.28 o 1 21 1 19.24 19.61 0.21 o 2 0 2 84.61 84.25 0.85 o 4 0 2 62.18 62.74 0.63 o 3 1 2 47.94 48.33 0.48 o 5 1 2 32.24 32.17 0.33 o 0 2 2 5.81 3.91 0.52 o 2 2 2 4.27 2.90 0.39 o 4 2 2 6.31 5.80 0.25 o 3 3 2 77.23 77.69 0.77 o 5 3 2 53.06 52.66 0.53 o 2 4 2 78.67 78.72 0.79 o 4 4 2 55.32 55.66 0.56 o 1 5 2 24.31 23.97 0.25 o 3 5 2 14.34 14.50 0.18 o 5 5 2 7.96 7.15 0.26 o 0 6 2 36.48 35.85 0.38 o 2 6 2 33.31 32.53 0.34 o 4 6 2 26.10 27.28 0.27 o 1 7 2 82.23 81.85 0.82 o 3 7 2 65.01 65.60 0.65 o 5 7 2 46.87 46.56 0.47 o 0 8 2 34.37 34.25 0.35 o 2 8 2 29.41 29.27 0.30 o 4 8 2 21.33 21.30 0.23 o 1 9 2 47.57 47.49 0.48 o 3 9 2 36.67 36.97 0.37 o 5 9 2 26.13 26.00 0.28 o 0 10 2 66.85 66.37 0.67 o 2 10 2 59.43 59.68 0.60 o 4 10 2 46.45 46.31 0.47 o 1 11 2 44.78 44.41 0.45 o 3 11 2 37.13 37.12 0.37 o 5 11 2 27.11 27.22 0.28 o 0 12 2 25.95 26.03 0.27 o 2 12 2 22.46 22.70 0.23 o 4 12 2 16.36 16.26 0.19 o 1 13 2 45.96 46.25 0.46 o 3 13 2 39.77 39.54 0.40 o 0 14 2 58.69 58.54 0.59 o 2 14 2 53.44 53.06 0.54 o 4 14 2 41.34 41.44 0.42 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39.13 0.39 o 3 11 3 33.70 33.44 0.34 o 0 12 3 62.09 62.28 0.62 o 2 12 3 56.54 56.58 0.57 o 4 12 3 44.37 44.29 0.45 o 1 13 3 18.93 18.99 0.20 o 3 13 3 16.64 16.39 0.19 o 0 14 3 24.44 24.61 0.26 o 2 14 3 22.30 22.21 0.23 o 4 14 3 17.31 17.40 0.20 o 1 15 3 55.15 54.51 0.55 o 3 15 3 46.27 46.12 0.47 o 0 16 3 23.62 23.40 0.26 o 2 16 3 22.58 22.07 0.24 o 1 17 3 5.92 5.77 0.26 o 3 17 3 5.31 4.86 0.32 o 0 18 3 36.51 35.58 0.37 o 2 18 3 33.52 33.16 0.34 o 1 19 3 36.09 35.61 0.37 o 0 20 3 5.18 2.55 0.47 o 4 0 4 64.64 64.70 0.65 o 1 1 4 42.29 42.72 0.43 o 3 1 4 34.35 34.43 0.35 o 5 1 4 25.31 25.19 0.27 o 0 2 4 38.40 38.75 0.39 o 2 2 4 32.39 32.22 0.34 o 4 2 4 22.00 22.02 0.24 o 1 3 4 48.89 49.54 0.50 o 3 3 4 43.53 43.69 0.44 o 5 3 4 33.99 33.78 0.35 o 0 4 4 75.07 75.89 0.75 o 2 4 4 66.81 66.73 0.67 o 4 4 4 49.78 49.40 0.50 o 1 5 4 6.17 5.47 0.27 o 3 5 4 4.45 3.97 0.43 o 5 5 4 3.92 2.91 0.57 o 0 6 4 52.78 52.84 0.53 o 2 6 4 47.09 47.47 0.47 o 4 6 4 37.14 36.77 0.38 o 1 7 4 71.33 71.34 0.72 o 3 7 4 58.31 58.49 0.59 o 5 7 4 41.69 42.73 0.42 o 0 8 4 12.25 11.97 0.21 o 2 8 4 12.09 11.89 0.18 o 4 8 4 11.17 10.68 0.22 o 1 9 4 27.30 27.27 0.28 o 3 9 4 24.01 23.33 0.25 o 0 10 4 51.93 52.26 0.52 o 2 10 4 48.07 48.20 0.48 o 4 10 4 38.87 38.83 0.39 o 1 11 4 47.17 47.42 0.47 o 3 11 4 39.64 39.21 0.40 o 0 12 4 22.71 22.93 0.25 o 2 12 4 20.22 20.19 0.22 o 4 12 4 14.53 14.82 0.20 o 1 13 4 43.55 43.17 0.44 o 3 13 4 37.72 37.19 0.38 o 0 14 4 45.72 45.74 0.46 o 2 14 4 42.52 42.13 0.43 o 1 15 4 12.61 11.92 0.18 o 3 15 4 9.97 9.92 0.20 o 0 16 4 30.26 29.64 0.32 o 2 16 4 27.50 27.51 0.28 o 1 17 4 38.31 37.81 0.39 o 0 18 4 21.41 21.62 0.25 o 1 1 5 60.72 61.75 0.61 o 3 1 5 50.45 50.29 0.51 o 0 2 5 54.98 55.49 0.55 o 2 2 5 50.67 50.96 0.52 o 4 2 5 40.87 40.68 0.42 o 1 3 5 23.86 24.10 0.25 o 3 3 5 20.10 19.94 0.24 o 0 4 5 33.71 34.16 0.35 o 2 4 5 31.18 31.21 0.34 o 4 4 5 25.02 24.50 0.27 o 1 5 5 63.79 64.11 0.64 o 3 5 5 53.73 53.52 0.54 o 0 6 5 41.20 41.89 0.42 o 2 6 5 37.86 38.00 0.39 o 4 6 5 29.87 29.73 0.31 o 1 7 5 20.98 20.97 0.23 o 3 7 5 17.20 16.85 0.22 o 0 8 5 58.16 58.98 0.59 o 2 8 5 53.60 53.40 0.54 o 4 8 5 41.03 41.54 0.42 o 1 9 5 43.53 43.76 0.44 o 3 9 5 37.75 37.36 0.38 o 0 10 5 21.03 20.94 0.24 o 2 10 5 18.89 18.45 0.21 o 4 10 5 13.43 13.55 0.23 o 1 11 5 38.99 38.84 0.39 o 3 11 5 33.51 33.19 0.34 o 0 12 5 50.05 49.40 0.51 o 2 12 5 46.41 45.63 0.47 o 1 13 5 18.23 17.77 0.21 o 3 13 5 15.19 15.50 0.19 o 0 14 5 18.04 17.69 0.23 o 2 14 5 16.61 16.54 0.20 o 1 15 5 41.12 40.45 0.42 o 0 16 5 27.79 27.78 0.30 o 2 16 5 25.45 25.97 0.27 o 1 17 5 7.90 8.09 0.25 o 0 0 6 55.86 56.72 0.57 o 2 0 6 51.97 51.88 0.53 o 1 1 6 31.48 32.05 0.32 o 0 2 6 13.31 13.08 0.20 o 2 2 6 13.21 11.96 0.25 o 1 3 6 62.50 63.20 0.63 o 3 3 6 53.20 52.71 0.54 o 0 4 6 41.93 42.84 0.42 o 2 4 6 39.62 39.62 0.41 o 4 4 6 31.12 32.07 0.33 o 1 5 6 2.59 1.53 0.99 < 3 5 6 5.06 0.93 0.41 o 0 6 6 41.91 41.87 0.43 o 2 6 6 39.01 38.48 0.40 o 4 6 6 29.23 30.88 0.32 o 1 7 6 49.27 48.80 0.50 o 3 7 6 41.96 41.89 0.43 o 0 8 6 26.57 26.27 0.29 o 2 8 6 24.26 23.95 0.29 o 1 9 6 28.09 27.06 0.30 o 3 9 6 22.36 23.10 0.27 o 0 10 6 49.74 48.61 0.51 o 2 10 6 46.17 45.01 0.47 o 1 11 6 29.11 28.40 0.31 o 3 11 6 23.18 24.69 0.29 o 0 12 6 8.42 7.10 0.52 o 2 12 6 7.09 6.59 0.33 o 1 13 6 35.02 34.24 0.37 o 0 14 6 33.65 33.62 0.38 o 1 15 6 8.26 8.21 0.36 o 1 1 7 33.65 33.04 0.34 o 3 1 7 29.79 28.93 0.31 o 0 2 7 56.71 56.54 0.57 o 2 2 7 52.52 51.99 0.53 o 1 3 7 18.56 18.47 0.22 o 3 3 7 15.48 15.70 0.27 o 0 4 7 29.43 29.28 0.31 o 2 4 7 27.20 26.92 0.29 o 1 5 7 45.28 44.67 0.46 o 3 5 7 38.68 38.75 0.40 o 0 6 7 24.20 24.06 0.26 o 2 6 7 22.97 22.57 0.25 o 1 7 7 7.05 6.36 0.36 o 0 8 7 44.04 43.02 0.46 o 2 8 7 40.17 39.93 0.41 o 1 9 7 34.37 34.51 0.35 o 2 10 7 8.97 9.81 0.37 o 1 11 7 30.53 31.15 0.32 o 0 0 8 43.04 42.59 0.44 o 2 0 8 40.48 39.73 0.42 o 1 1 8 22.62 22.66 0.25 o 0 2 8 16.55 16.51 0.22 o 2 2 8 15.56 15.31 0.23 o 1 3 8 37.09 35.94 0.38 o 0 4 8 33.54 32.94 0.35 o 1 5 8 7.62 7.93 0.34 o 0 6 8 38.07 38.22 0.40 o 1 7 8 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