#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2015403.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_2015403_Fobs loop_ _publ_author_name 'Ben Zarkouna, Emna' 'Driss, Ahmed' 'F\'erid, Mokhtar' _publ_section_title ; Pr\'eparation et \'etude structurale de NH~4~Gd(PO~3~)~4~ et NH~4~GdP~4~O~12~ ; _journal_coeditor_code BC3007 _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i64 _journal_page_last i66 _journal_volume 62 _journal_year 2006 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 128.940 _cell_angle_gamma 90.000 _cell_length_a 10.9510 _cell_length_b 8.9980 _cell_length_c 12.8028 _exptl_crystal_F_000 924.00 _reflns_d_resolution_high 0.7835 _[local]_cod_data_source_file bc3007Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' ferid2 in P 21/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 320.79 _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+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, 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 0 9548.38 10063.78 135.57 o 2 0 0 42113.63 43714.15 384.43 o 3 0 0 62340.38 62425.86 566.79 o 4 0 0 103.67 106.74 65.17 o 5 0 0 12715.53 12945.26 340.77 o 6 0 0 26305.01 26698.09 542.35 o 7 0 0 5140.14 5405.57 278.85 o 8 0 0 21187.66 20618.35 586.47 o 9 0 0 1529.71 1852.47 180.36 o 10 0 0 6454.44 5763.92 376.09 o 1 1 0 29370.64 26968.69 14983.17 o 2 1 0 2146.65 2286.62 73.94 o 3 1 0 4765.15 4771.15 118.33 o 4 1 0 23996.89 24743.40 309.42 o 5 1 0 5512.28 5399.98 292.73 o 6 1 0 8702.59 8566.59 276.52 o 7 1 0 26318.81 25986.25 429.90 o 8 1 0 964.98 1060.39 73.30 o 9 1 0 11336.92 11347.57 336.90 o 10 1 0 4692.60 4908.56 262.20 o 0 2 0 20746.09 21546.55 265.28 o 1 2 0 27498.15 28644.71 324.40 o 2 2 0 41359.39 42306.76 448.32 o 3 2 0 13992.26 13453.13 293.87 o 4 2 0 1141.70 1064.26 97.77 o 5 2 0 50525.52 51065.05 702.89 o 6 2 0 19065.35 19362.91 477.34 o 7 2 0 3250.44 3267.65 216.38 o 8 2 0 25163.04 25547.14 651.56 o 9 2 0 3800.47 3699.76 287.75 o 1 3 0 27937.68 27732.97 382.80 o 2 3 0 36552.52 36870.62 473.58 o 3 3 0 5571.31 6303.90 217.71 o 4 3 0 29828.43 30526.77 515.57 o 5 3 0 9209.44 10026.34 329.75 o 6 3 0 3893.80 4087.11 234.40 o 7 3 0 5869.25 5536.29 296.86 o 8 3 0 7.30 66.29 77.52 o 9 3 0 1762.69 1715.41 168.56 o 10 3 0 3371.00 3260.53 323.69 o 0 4 0 18288.71 18794.97 351.72 o 1 4 0 3801.57 4451.37 178.26 o 2 4 0 1530.14 1694.34 121.39 o 3 4 0 34794.81 36364.32 560.88 o 4 4 0 1215.25 1332.24 130.92 o 5 4 0 10839.16 10971.57 363.56 o 6 4 0 6001.86 5522.61 281.13 o 7 4 0 4199.63 4215.61 271.49 o 8 4 0 6890.00 7104.49 366.02 o 10 4 0 556.84 542.69 80.90 o 1 5 0 10139.29 9611.92 292.19 o 2 5 0 3297.50 3512.80 179.88 o 3 5 0 435.91 405.62 49.44 o 4 5 0 15212.28 15293.67 425.23 o 5 5 0 6923.38 6978.37 308.18 o 6 5 0 6969.26 6903.52 327.83 o 7 5 0 12318.64 12476.89 471.51 o 8 5 0 280.88 377.52 61.80 o 9 5 0 7378.05 6990.09 410.98 o 0 6 0 12479.70 13099.01 372.18 o 1 6 0 1336.76 1326.08 124.74 o 2 6 0 4310.54 4327.14 225.44 o 3 6 0 2144.35 2115.78 169.71 o 4 6 0 1663.87 1844.73 154.52 o 5 6 0 169.62 100.56 87.07 o 6 6 0 37.08 79.21 76.40 o 8 6 0 2887.93 3017.09 265.80 o 1 7 0 15517.67 15942.09 458.40 o 2 7 0 60.23 12.92 89.88 o 3 7 0 4838.82 4881.81 287.26 o 4 7 0 10056.86 9887.93 403.35 o 5 7 0 2478.55 2438.27 218.60 o 6 7 0 661.91 627.54 79.78 o 7 7 0 10130.00 10658.99 472.43 o 8 7 0 328.72 202.24 139.88 o 1 8 0 2.74 -81.46 81.46 o 2 8 0 333.83 361.79 56.18 o 4 8 0 88.30 102.24 92.69 o 5 8 0 19.43 0.00 89.88 o 6 8 0 696.41 675.29 80.34 o 7 8 0 40.58 -66.29 138.19 o 1 9 0 533.72 511.80 66.29 o 2 9 0 4587.97 4996.93 319.83 o 3 9 0 305.93 407.29 59.55 o 4 9 0 608.55 698.32 69.66 o 5 9 0 308.94 249.99 124.72 o 6 9 0 431.05 338.20 161.23 o 2 10 0 170.94 141.57 101.68 o 3 10 0 598.56 687.64 77.53 o 4 10 0 292.91 154.49 134.27 o 5 10 0 512.82 518.53 86.52 o 1 11 0 1209.85 1084.90 122.48 o 2 11 0 22.87 -46.06 93.25 o -11 1 1 2947.11 2935.37 172.34 o -10 1 1 50.56 54.43 176.11 o -9 1 1 1190.35 1117.00 73.66 o -8 1 1 6675.42 6530.91 468.11 o -7 1 1 2804.42 2739.80 140.88 o -6 1 1 382.34 420.22 68.54 o -5 1 1 12400.48 12560.00 229.39 o -4 1 1 1301.42 1661.86 79.47 o -3 1 1 497.90 565.30 40.08 o -2 1 1 1459.63 1520.74 63.93 o -1 1 1 13615.88 13875.36 133.69 o 0 1 1 10.05 92.22 47.47 o 1 1 1 4861.42 5145.68 136.86 o 2 1 1 1522.88 1533.08 69.71 o 3 1 1 10223.32 10946.83 348.44 o 4 1 1 74.13 97.31 41.00 o 5 1 1 906.13 866.68 58.71 o 6 1 1 9386.95 9789.16 255.80 o 7 1 1 479.80 423.49 42.95 o 8 1 1 257.93 208.22 76.89 o 9 1 1 466.12 599.70 55.39 o 10 1 1 33.08 68.54 118.53 o -11 2 1 998.36 955.09 96.07 o -9 2 1 56.43 16.85 95.50 o -8 2 1 2299.89 2178.08 195.56 o -7 2 1 1584.80 1886.86 182.62 o -6 2 1 1580.22 1807.14 149.47 o -5 2 1 868.44 988.88 100.01 o -4 2 1 15286.05 16401.78 342.90 o -3 2 1 411.38 335.98 38.77 o -2 2 1 16620.29 17050.52 270.36 o -1 2 1 2954.21 3186.33 82.34 o 0 2 1 172.42 164.61 64.05 o 1 2 1 796.87 822.12 78.67 o 2 2 1 557.71 625.35 53.38 o 3 2 1 228.55 327.53 36.52 o 4 2 1 1143.28 1242.35 112.38 o 5 2 1 3.80 -51.68 80.33 o 6 2 1 105.60 -37.08 93.25 o 7 2 1 512.27 519.67 58.99 o 8 2 1 3775.14 3425.55 270.90 o 9 2 1 1093.11 1052.87 100.01 o 10 2 1 278.13 185.39 130.89 o -11 3 1 3533.25 3730.36 340.55 o -10 3 1 2576.83 2585.42 242.19 o -9 3 1 8370.31 7891.31 398.14 o -8 3 1 6083.52 6147.35 329.46 o -7 3 1 1818.31 1958.83 176.44 o -6 3 1 7284.37 7538.65 298.67 o -5 3 1 1254.42 1322.71 128.67 o -4 3 1 441.34 460.69 41.01 o -3 3 1 26188.49 27439.06 430.53 o -2 3 1 2791.40 2893.94 135.50 o -1 3 1 11685.59 12089.27 175.88 o 0 3 1 15679.99 16682.39 293.14 o 1 3 1 27.75 55.05 57.86 o 2 3 1 2644.81 2561.76 138.85 o 3 3 1 5813.38 5554.71 218.81 o 4 3 1 213.07 264.60 37.08 o 5 3 1 21224.74 21501.88 500.07 o 6 3 1 2416.59 2662.58 197.25 o 7 3 1 464.85 446.63 55.06 o 8 3 1 9249.55 10108.51 442.04 o 9 3 1 166.49 229.20 99.43 o -10 4 1 2644.55 2562.94 232.64 o -9 4 1 3385.84 3693.95 283.24 o -8 4 1 897.23 910.16 96.63 o -7 4 1 9542.91 9664.80 391.52 o -6 4 1 2760.82 2732.48 193.89 o -5 4 1 14.67 31.46 78.65 o -4 4 1 4759.69 5114.14 228.29 o -3 4 1 7.69 -38.76 63.48 o -2 4 1 7645.95 8948.10 255.53 o -1 4 1 10107.38 10337.32 188.39 o 0 4 1 541.69 703.99 68.54 o 1 4 1 6414.94 6350.79 214.38 o 2 4 1 3804.12 3808.64 182.73 o 3 4 1 7614.54 7503.64 268.37 o 4 4 1 8040.67 7918.63 301.53 o 5 4 1 462.25 494.95 48.31 o 6 4 1 1671.63 1591.85 151.71 o 7 4 1 856.12 796.10 76.41 o 8 4 1 1401.65 1237.76 115.74 o 9 4 1 982.30 1017.46 103.38 o -10 5 1 506.35 546.62 84.27 o -9 5 1 391.04 200.00 135.95 o -8 5 1 13404.67 13032.04 502.49 o -7 5 1 50.84 15.17 85.39 o -6 5 1 19285.25 19082.17 521.67 o -5 5 1 6546.68 6262.42 285.12 o -4 5 1 6105.88 6462.80 268.25 o -3 5 1 19471.67 19710.33 442.66 o -2 5 1 13594.10 13651.27 349.84 o -1 5 1 5953.49 6154.56 165.86 o 0 5 1 25929.67 25609.89 470.01 o 1 5 1 9036.97 8866.07 289.85 o 2 5 1 4864.28 4804.77 222.10 o 3 5 1 14184.10 14389.11 399.29 o 4 5 1 11.07 35.39 61.23 o 5 5 1 4290.87 4548.07 264.19 o 7 5 1 533.47 352.81 132.02 o 8 5 1 3329.01 3370.16 278.74 o 9 5 1 6006.93 5864.62 383.93 o -9 6 1 7682.80 7823.55 436.86 o -8 6 1 57.48 95.50 112.91 o -7 6 1 8341.56 8302.06 390.28 o -6 6 1 10052.62 10211.12 408.96 o -5 6 1 2114.09 2170.76 184.88 o -4 6 1 5238.68 5683.02 276.62 o -3 6 1 10001.26 10117.63 351.70 o -2 6 1 3479.86 3418.19 199.55 o -1 6 1 8618.93 8863.54 221.40 o 0 6 1 681.00 685.43 52.25 o 1 6 1 16738.29 17077.16 436.66 o 2 6 1 4960.65 5308.60 253.57 o 3 6 1 5359.71 5767.43 274.93 o 4 6 1 25964.90 26465.12 630.44 o 5 6 1 734.87 641.03 64.05 o 6 6 1 3040.98 2888.00 236.59 o 7 6 1 6428.35 6628.73 378.35 o 8 6 1 486.61 434.26 170.78 o -9 7 1 4876.67 4020.92 340.60 o -8 7 1 10133.90 9502.33 481.98 o -7 7 1 936.87 1128.14 90.45 o -5 7 1 12465.78 12399.84 452.42 o -3 7 1 9352.19 9827.24 378.60 o -2 7 1 2449.52 2442.35 189.39 o -1 7 1 2189.37 2194.85 127.35 o 0 7 1 8662.48 8908.88 343.15 o 1 7 1 2221.25 2110.14 171.40 o 2 7 1 7179.79 7128.56 322.24 o 3 7 1 16455.86 16083.84 503.96 o 4 7 1 12.76 124.71 69.66 o 5 7 1 8554.91 8524.39 397.03 o 6 7 1 6754.91 6472.19 378.93 o 7 7 1 18.65 -105.05 105.05 o 8 7 1 9541.06 10169.14 516.78 o -8 8 1 654.26 561.80 206.74 o -7 8 1 7990.48 7142.47 431.82 o -6 8 1 678.39 698.32 85.39 o -5 8 1 2262.96 2143.16 209.03 o -4 8 1 39273.71 38734.11 841.31 o -3 8 1 1031.93 1117.50 114.05 o -2 8 1 19606.02 19668.08 572.31 o -1 8 1 37751.13 38030.29 1019.67 o 0 8 1 709.72 868.01 90.45 o 1 8 1 7495.55 7820.00 361.03 o 2 8 1 19020.48 18808.84 557.01 o 3 8 1 22.27 65.73 76.96 o 4 8 1 10108.56 9186.76 430.85 o 5 8 1 4567.55 4221.10 305.20 o 6 8 1 7363.62 8025.20 426.17 o 7 8 1 8514.10 8393.59 476.81 o -7 9 1 1109.64 1465.24 141.02 o -6 9 1 462.13 527.52 74.72 o -5 9 1 8785.76 9128.91 462.24 o -4 9 1 1810.14 1883.99 184.30 o -3 9 1 10855.47 10684.99 462.39 o -2 9 1 2749.00 2744.03 238.27 o -1 9 1 2420.33 2630.42 227.58 o 0 9 1 6646.90 6714.81 347.46 o 1 9 1 1435.16 1632.21 165.19 o 2 9 1 2308.96 2110.57 189.37 o 3 9 1 10048.46 10838.73 473.57 o 4 9 1 541.85 605.05 79.21 o 5 9 1 7394.89 7690.63 442.47 o 6 9 1 6229.07 6040.12 412.04 o -5 10 1 3885.38 3805.28 335.51 o -4 10 1 11509.44 11831.82 536.05 o -3 10 1 7657.39 7519.56 411.01 o -2 10 1 11647.16 11798.88 506.83 o -1 10 1 5872.59 5560.20 354.72 o 1 10 1 20091.47 20052.08 663.86 o 2 10 1 4646.39 5315.95 343.42 o 3 10 1 1045.34 1140.51 121.35 o 4 10 1 24518.03 24350.43 769.96 o -3 11 1 7520.05 7619.09 463.26 o -2 11 1 6847.06 6192.93 422.19 o -1 11 1 1495.44 1468.71 107.59 o 0 11 1 10320.77 9792.92 503.34 o 2 11 1 2579.06 2430.84 241.06 o -11 0 2 5847.50 4997.33 359.76 o -10 0 2 668.73 591.58 93.26 o -9 0 2 8580.95 8261.27 380.75 o -8 0 2 26500.91 25768.24 599.55 o -7 0 2 502.63 630.91 63.48 o -6 0 2 43493.93 44057.31 642.13 o -5 0 2 32776.57 31409.13 480.27 o -4 0 2 31289.07 31851.71 421.00 o -3 0 2 63854.38 64159.53 520.74 o -2 0 2 67348.16 67223.52 331.46 o -1 0 2 16620.54 16258.51 215.61 o 0 0 2 22168.25 21817.87 262.39 o 1 0 2 63458.44 64950.26 527.45 o 2 0 2 22620.88 23042.46 365.42 o 3 0 2 51727.25 53297.60 628.49 o 4 0 2 124.27 125.28 58.99 o 5 0 2 40513.10 40514.64 686.67 o 6 0 2 945.45 1259.08 129.22 o 7 0 2 3774.88 3376.75 248.98 o 8 0 2 24957.07 24107.27 700.93 o 9 0 2 3833.10 3995.82 319.22 o -11 1 2 370.83 382.01 127.52 o -10 1 2 8074.78 8088.82 293.24 o -9 1 2 10616.67 10986.89 489.71 o -8 1 2 2065.40 1916.00 123.34 o -7 1 2 12255.83 12373.98 291.04 o -6 1 2 14393.39 13965.65 659.17 o -5 1 2 17181.11 17946.42 262.88 o -4 1 2 28794.38 29175.58 519.41 o -3 1 2 25.07 98.74 43.51 o -2 1 2 8960.51 8489.32 118.39 o -1 1 2 19337.31 18867.60 530.16 o 0 1 2 734.33 795.20 52.45 o 1 1 2 20108.99 19616.81 215.71 o 2 1 2 8034.38 7433.09 451.32 o 3 1 2 8095.60 8676.20 185.46 o 4 1 2 20412.22 20505.43 347.15 o 5 1 2 4254.62 4014.03 257.19 o 6 1 2 1221.76 1187.07 87.76 o 7 1 2 10862.26 10947.54 689.43 o 8 1 2 997.88 952.14 69.27 o 9 1 2 2496.40 2609.28 170.64 o -11 2 2 13699.39 13260.25 558.68 o -10 2 2 2872.22 3026.12 278.17 o -9 2 2 6334.31 6168.79 333.40 o -8 2 2 24591.80 23198.27 577.88 o -7 2 2 7066.33 7079.78 305.96 o -6 2 2 12583.01 12495.72 360.40 o -5 2 2 27842.84 27995.05 475.44 o -4 2 2 2270.76 2369.88 136.03 o -3 2 2 47517.98 46633.39 498.34 o -2 2 2 6414.43 5942.59 119.97 o -1 2 2 9139.00 8806.30 195.16 o 0 2 2 102908.30 104061.40 678.74 o 1 2 2 2013.69 2373.34 119.17 o 2 2 2 42843.19 44705.52 550.03 o 3 2 2 49292.40 50423.87 643.99 o 4 2 2 365.80 442.14 44.38 o 5 2 2 9027.91 9075.13 336.43 o 6 2 2 16883.55 17290.93 506.82 o 7 2 2 3715.95 3536.31 264.72 o 8 2 2 11625.72 11799.74 487.72 o 9 2 2 3053.41 3196.36 285.47 o -11 3 2 859.46 812.38 96.07 o -10 3 2 6478.57 7038.04 387.91 o -9 3 2 7065.40 7274.09 363.23 o -8 3 2 6635.86 6507.38 335.12 o -7 3 2 18666.34 18802.08 501.45 o -6 3 2 2505.53 2357.09 169.17 o -5 3 2 12393.28 12089.29 332.86 o -4 3 2 43719.50 44737.75 581.31 o -3 3 2 6461.19 6005.44 200.35 o -2 3 2 6254.30 6078.45 255.54 o -1 3 2 36345.12 35266.61 437.13 o 0 3 2 6490.10 6768.82 200.95 o 1 3 2 17847.66 17759.13 340.40 o 2 3 2 6336.31 6041.24 222.79 o 3 3 2 974.51 896.75 91.59 o 4 3 2 7195.17 7238.50 289.11 o 5 3 2 10867.70 11196.31 395.02 o 6 3 2 8872.24 9211.35 374.60 o 7 3 2 15599.06 15842.53 553.86 o 9 3 2 12558.51 12022.79 559.71 o -11 4 2 9629.47 9441.10 500.48 o -10 4 2 4769.14 4946.75 337.24 o -9 4 2 3064.17 2735.69 245.02 o -8 4 2 11185.63 11147.04 434.90 o -6 4 2 1661.36 1640.23 137.67 o -5 4 2 13619.38 13290.80 374.52 o -4 4 2 0.40 42.69 54.49 o -3 4 2 7916.10 8189.87 256.64 o -2 4 2 14271.06 13658.44 221.80 o -1 4 2 8034.50 7775.71 235.87 o 0 4 2 44587.05 45776.67 574.24 o 1 4 2 10882.41 11450.91 302.42 o 2 4 2 25629.18 25791.98 485.67 o 3 4 2 5881.14 5626.50 250.82 o 4 4 2 7254.29 6821.15 302.02 o 5 4 2 9023.64 8982.13 362.26 o 6 4 2 11613.77 12325.59 457.42 o 7 4 2 56.98 125.84 78.09 o 8 4 2 11879.44 11762.21 525.39 o -10 5 2 6900.64 6497.80 403.65 o -9 5 2 6226.56 6649.99 382.28 o -8 5 2 119.82 -33.14 112.92 o -7 5 2 11282.20 11328.38 420.30 o -6 5 2 3407.54 3208.21 220.89 o -5 5 2 1530.49 1691.90 148.90 o -4 5 2 20670.86 19360.80 462.39 o -3 5 2 5127.04 5293.24 225.50 o -2 5 2 22947.18 23068.91 598.88 o -1 5 2 24598.20 24649.36 461.35 o 0 5 2 451.36 551.14 57.87 o 1 5 2 18645.59 17358.81 414.97 o 2 5 2 3490.79 3114.69 198.43 o 3 5 2 3144.60 3436.96 208.52 o 4 5 2 20350.22 19873.76 520.67 o 5 5 2 352.60 398.87 53.37 o 6 5 2 4840.01 4610.96 304.10 o 7 5 2 15553.58 15791.29 566.17 o 8 5 2 400.08 327.52 155.61 o -10 6 2 556.79 538.20 86.52 o -9 6 2 151.14 308.41 118.53 o -8 6 2 2308.30 2144.84 195.55 o -7 6 2 2213.94 2350.53 230.95 o -6 6 2 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