#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/48/2224854.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_2224854_Fobs loop_ _publ_author_name 'Ishizawa, Nobuo' 'Kamoshita, Minami' 'Fukuda, Koichiro' 'Shioi, Kousuke' 'Hirosaki, Naoto' _publ_section_title ; Sr~3~(Al~3+x~Si~13{-~x})(N~21{-~x}O~2+x~):Eu^2+^ (x \sim 0): a monoclinic modification of Sr-sialon ; _journal_coeditor_code BR2134 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i14 _journal_volume 66 _journal_year 2010 _space_group_IT_number 4 _symmetry_space_group_name_Hall 'P 2c' _symmetry_space_group_name_H-M 'P 1 1 21' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 90.000 _cell_length_a 14.7557 _cell_length_b 7.4627 _cell_length_c 9.0348 _exptl_crystal_F_000 1000.50 _reflns_d_resolution_high 0.7695 _[local]_cod_data_source_file br2134Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' SD66_sd1l_2 in P1121' _shelx_refln_list_code 4 _shelx_f_calc_maximum 331.04 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, z+1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 1 0 -11 44.29 42.71 35.64 o 2 0 -11 606.50 681.75 53.54 o 3 0 -11 98.80 117.43 38.24 o 4 0 -11 182.11 197.82 59.26 o 5 0 -11 11.78 -38.32 65.16 o 6 0 -11 1.46 -48.76 63.86 o -6 1 -11 700.24 661.59 83.12 o -5 1 -11 6122.33 5989.38 191.36 o -4 1 -11 461.53 568.41 75.40 o -3 1 -11 668.12 833.37 120.38 o -2 1 -11 235.82 313.03 65.11 o -1 1 -11 1932.86 2011.58 90.00 o 0 1 -11 9510.83 9823.47 203.97 o 1 1 -11 1931.23 2006.02 88.30 o 2 1 -11 237.73 433.91 67.69 o 3 1 -11 674.39 770.45 78.82 o 4 1 -11 455.16 500.87 68.86 o -5 2 -11 3325.04 3000.49 137.29 o -4 2 -11 1143.42 999.79 92.30 o -3 2 -11 3088.75 3203.60 137.57 o -2 2 -11 3708.26 3670.86 146.84 o -1 2 -11 134.91 94.13 57.16 o 0 2 -11 1731.56 1678.92 185.11 o 1 2 -11 138.58 211.49 60.47 o 2 2 -11 3691.88 3804.42 143.98 o 3 2 -11 3095.88 3569.64 235.40 o 4 2 -11 1150.54 920.86 86.28 o 5 2 -11 3322.16 2784.78 186.81 o -3 3 -11 608.22 688.00 83.15 o -2 3 -11 929.92 1254.15 191.94 o -1 3 -11 508.46 466.11 73.31 o 0 3 -11 1036.23 1065.89 93.14 o 1 3 -11 511.82 525.28 73.77 o 2 3 -11 922.05 1183.10 95.11 o 3 3 -11 612.53 632.76 93.99 o 0 0 -10 2943.76 2660.72 112.37 o 1 0 -10 495.37 516.46 45.52 o 2 0 -10 16.75 -15.91 30.16 o 3 0 -10 4.45 38.43 33.08 o 4 0 -10 72.29 72.80 34.19 o 5 0 -10 1444.19 1715.86 99.37 o 6 0 -10 2266.78 1880.26 139.88 o 8 0 -10 3.01 -63.04 63.04 o 9 0 -10 222.32 119.07 80.31 o -9 1 -10 795.25 607.61 72.42 o -8 1 -10 1344.14 1612.98 140.71 o -7 1 -10 658.50 602.24 75.16 o -6 1 -10 35.86 24.62 50.28 o -5 1 -10 1111.41 1398.78 178.83 o -4 1 -10 690.60 587.97 69.09 o -3 1 -10 655.75 829.85 77.10 o -2 1 -10 1826.14 1762.75 77.74 o -1 1 -10 135.23 167.34 44.69 o 0 1 -10 5150.60 4900.64 110.30 o 1 1 -10 137.72 199.88 38.09 o 2 1 -10 1823.30 1776.29 68.85 o 3 1 -10 657.67 864.32 61.92 o 4 1 -10 699.41 729.37 70.19 o 5 1 -10 1107.91 1232.66 132.05 o -9 2 -10 79.02 213.66 86.72 o -8 2 -10 539.54 662.76 62.55 o -7 2 -10 531.08 540.59 57.04 o -6 2 -10 993.76 1087.76 67.68 o -5 2 -10 2488.83 2572.65 89.03 o -4 2 -10 270.75 298.64 43.63 o -3 2 -10 702.47 899.51 66.02 o -2 2 -10 539.31 606.20 71.63 o -1 2 -10 763.01 701.15 74.04 o 0 2 -10 1452.21 1620.73 162.37 o 1 2 -10 750.59 693.52 72.06 o 2 2 -10 535.52 423.64 63.68 o 3 2 -10 704.95 774.36 96.48 o 4 2 -10 273.86 296.12 72.96 o 5 2 -10 2495.04 2533.10 167.15 o 6 2 -10 990.89 772.84 115.10 o 7 2 -10 534.14 629.06 107.15 o -8 3 -10 258.32 131.66 63.08 o -7 3 -10 51.72 -16.09 37.33 o -6 3 -10 91.39 85.14 41.82 o -5 3 -10 3.87 60.73 39.37 o -4 3 -10 577.99 459.36 50.99 o -3 3 -10 5119.96 5357.49 128.37 o -2 3 -10 590.56 549.11 49.20 o -1 3 -10 93.61 71.16 51.04 o 0 3 -10 9937.13 9375.41 248.74 o 1 3 -10 93.59 85.02 50.78 o 2 3 -10 595.19 632.33 73.01 o 3 3 -10 5090.05 5208.36 183.97 o 4 3 -10 576.81 520.67 114.26 o 5 3 -10 3.82 54.80 49.81 o 6 3 -10 89.73 25.79 80.73 o 7 3 -10 53.88 124.62 80.30 o 8 3 -10 260.62 108.24 88.94 o -6 4 -10 411.93 197.99 130.38 o -5 4 -10 1002.01 1275.23 98.70 o -4 4 -10 121.31 141.61 43.09 o -3 4 -10 447.27 597.28 56.69 o -2 4 -10 39.46 11.38 36.69 o -1 4 -10 2409.58 2458.89 115.77 o 0 4 -10 11630.80 10918.80 203.92 o 1 4 -10 2399.58 2362.40 164.80 o 2 4 -10 38.84 -10.55 48.15 o 3 4 -10 446.60 600.43 74.22 o 4 4 -10 122.44 168.49 57.66 o 5 4 -10 1003.15 1274.80 94.24 o 6 4 -10 415.25 350.98 106.55 o -1 5 -10 232.80 419.17 72.74 o 0 5 -10 3653.39 3663.89 149.38 o 1 5 -10 239.74 316.52 68.83 o 1 0 -9 41.67 37.81 29.81 o 2 0 -9 3018.86 3136.23 80.71 o 3 0 -9 8020.71 8048.47 140.83 o 4 0 -9 1750.45 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4731.23 4372.49 112.22 o -4 2 -9 490.53 327.01 40.85 o -3 2 -9 571.42 735.46 57.19 o -2 2 -9 335.26 475.99 42.38 o -1 2 -9 198.73 174.78 40.05 o 0 2 -9 4638.44 4241.79 139.88 o 1 2 -9 194.73 203.98 49.80 o 2 2 -9 339.49 384.77 57.20 o 3 2 -9 576.65 670.23 68.03 o 4 2 -9 482.96 291.21 55.96 o 5 2 -9 4713.08 4350.53 142.62 o 6 2 -9 87.79 45.99 68.45 o 7 2 -9 492.52 524.02 98.57 o 8 2 -9 148.06 273.51 92.15 o -10 3 -9 1214.99 1216.60 88.70 o -9 3 -9 265.43 234.49 49.13 o -8 3 -9 296.04 296.57 49.38 o -7 3 -9 458.12 331.73 47.98 o -6 3 -9 1261.66 1298.74 70.44 o -5 3 -9 6751.48 6374.65 145.45 o -4 3 -9 292.93 322.41 71.03 o -3 3 -9 936.15 1018.06 59.83 o -2 3 -9 476.55 491.74 50.13 o -1 3 -9 1134.32 1138.32 57.16 o 0 3 -9 991.84 907.88 70.22 o 1 3 -9 1134.48 925.40 91.68 o 2 3 -9 477.48 492.07 72.37 o 3 3 -9 941.15 1196.63 82.30 o 4 3 -9 301.34 258.85 67.18 o 5 3 -9 6770.73 6308.05 398.58 o 6 3 -9 1275.28 1379.87 138.51 o 7 3 -9 457.44 462.32 98.92 o 8 3 -9 302.00 217.90 87.90 o 9 3 -9 272.01 214.95 93.50 o 10 3 -9 1213.59 1459.43 154.28 o -9 4 -9 1992.48 1537.34 105.51 o -8 4 -9 1630.28 1672.66 85.92 o -7 4 -9 108.73 186.97 47.12 o -6 4 -9 42.40 75.24 41.17 o -5 4 -9 2706.43 2648.24 93.29 o -4 4 -9 532.94 431.26 49.45 o -3 4 -9 5184.71 5423.38 131.66 o -2 4 -9 2583.85 2599.63 87.56 o -1 4 -9 488.91 554.24 49.89 o 0 4 -9 423.33 605.41 106.43 o 1 4 -9 495.07 447.92 44.46 o 2 4 -9 2596.06 2716.55 81.99 o 3 4 -9 5181.34 5128.88 214.54 o 4 4 -9 534.42 433.55 177.07 o 5 4 -9 2706.85 2693.76 116.16 o 6 4 -9 43.86 49.08 81.39 o 7 4 -9 111.97 137.55 85.66 o 8 4 -9 1641.39 1589.78 161.53 o 9 4 -9 1988.40 1624.72 162.76 o -7 5 -9 266.36 330.69 69.40 o -6 5 -9 712.83 622.93 63.96 o -5 5 -9 3888.92 3941.88 120.90 o -4 5 -9 377.64 414.99 81.61 o -3 5 -9 1144.98 1351.39 73.14 o -2 5 -9 68.23 74.52 41.34 o -1 5 -9 195.62 206.45 52.65 o 0 5 -9 1249.59 1399.53 71.61 o 1 5 -9 191.09 217.45 43.56 o 2 5 -9 67.71 73.63 38.94 o 3 5 -9 1140.66 1224.19 87.59 o 4 5 -9 383.59 433.99 49.72 o 5 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