#------------------------------------------------------------------------------ #$Date: 2016-04-03 04:57:59 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181207 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/86/2228656.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_2228656_Fobs loop_ _publ_author_name 'Zouihri, Hafid' 'Saadi, Mohamed' 'Jaber, Boujemaa' 'El Ammari, Lehcen' _publ_section_title ; Silver indium diphosphate, AgInP~2~O~7~ ; _journal_coeditor_code BR2154 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i2 _journal_volume 67 _journal_year 2011 _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 112.038 _cell_angle_gamma 90.000 _cell_length_a 7.4867 _cell_length_b 8.2620 _cell_length_c 9.8383 _exptl_crystal_F_000 727.96 _reflns_d_resolution_high 0.5417 _cod_data_source_file br2154Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' zouihri_AgInPO_ in P2(1)/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 357.98 _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 0 164.02 102.87 4.97 o 2 0 0 97194.19 97041.70 3247.03 o 3 0 0 21329.04 20636.85 294.58 o 4 0 0 22773.73 22114.88 293.36 o 5 0 0 22501.73 22597.09 322.33 o 6 0 0 5348.51 5484.78 86.48 o 7 0 0 4863.70 4574.27 128.83 o 8 0 0 84.66 66.63 21.14 o 9 0 0 2076.84 1908.54 77.88 o 10 0 0 455.42 370.47 39.73 o 11 0 0 1459.17 1428.99 153.47 o 12 0 0 707.41 646.36 66.67 o 1 1 0 4.74 -1.71 1.71 o 2 1 0 12943.10 13023.26 131.04 o 3 1 0 1.27 3.84 2.46 o 4 1 0 166.95 187.20 5.29 o 5 1 0 2785.10 2779.08 33.09 o 6 1 0 774.54 784.76 15.11 o 7 1 0 254.94 263.63 17.07 o 8 1 0 244.28 244.09 19.89 o 9 1 0 283.79 326.18 24.26 o 10 1 0 1495.48 1370.61 54.92 o 11 1 0 34.49 13.81 18.14 o 12 1 0 57.00 51.75 21.68 o 0 2 0 38124.63 39016.87 580.26 o 1 2 0 7006.14 6824.71 55.79 o 2 2 0 52019.43 51590.14 512.58 o 3 2 0 6119.36 5788.66 61.07 o 4 2 0 42058.82 41618.23 415.06 o 5 2 0 3414.73 3252.27 38.20 o 6 2 0 9425.33 9414.30 133.04 o 7 2 0 11356.32 11524.55 167.04 o 8 2 0 6745.28 6688.00 104.50 o 9 2 0 3699.44 3537.60 74.05 o 10 2 0 1209.11 1172.49 82.50 o 11 2 0 1493.53 1394.80 52.22 o 12 2 0 3.15 10.85 20.18 o 1 3 0 6375.97 6025.68 52.50 o 2 3 0 4155.49 3826.16 40.93 o 3 3 0 11416.04 11046.37 108.33 o 4 3 0 3909.40 3924.93 43.62 o 5 3 0 68.23 80.62 5.17 o 6 3 0 1924.31 1967.13 32.07 o 7 3 0 621.87 682.50 20.68 o 8 3 0 1701.55 1763.40 40.27 o 9 3 0 0.46 -3.01 12.32 o 10 3 0 622.77 662.66 32.28 o 11 3 0 284.57 350.09 30.37 o 12 3 0 10.49 20.53 20.69 o 0 4 0 59915.84 61332.16 801.52 o 1 4 0 119.98 101.26 4.20 o 2 4 0 47652.60 48806.43 506.16 o 3 4 0 9092.32 8937.68 96.86 o 4 4 0 18088.50 18303.09 192.15 o 5 4 0 14355.75 14509.37 142.76 o 6 4 0 9732.87 9617.09 130.63 o 7 4 0 1841.29 1830.76 36.54 o 8 4 0 248.49 284.53 21.95 o 9 4 0 2045.15 2018.72 49.60 o 10 4 0 552.25 569.12 30.66 o 11 4 0 596.91 558.72 52.65 o 12 4 0 1821.25 1813.22 62.32 o 1 5 0 10327.82 10098.84 104.20 o 2 5 0 69.97 72.95 4.65 o 3 5 0 442.36 432.79 11.35 o 4 5 0 5485.39 5449.05 59.91 o 5 5 0 2001.93 2028.43 39.20 o 6 5 0 1360.34 1414.96 29.25 o 7 5 0 649.06 644.86 20.01 o 8 5 0 513.98 576.05 24.22 o 9 5 0 175.52 244.98 19.44 o 10 5 0 873.11 923.76 41.32 o 11 5 0 29.18 51.92 21.56 o 12 5 0 11.28 12.35 20.80 o 0 6 0 11557.25 11800.79 179.25 o 1 6 0 936.06 939.94 14.84 o 2 6 0 30122.17 30579.64 314.29 o 3 6 0 601.07 620.83 15.12 o 4 6 0 10384.52 10667.93 120.94 o 5 6 0 1721.67 1663.11 38.71 o 6 6 0 3484.04 3482.55 53.89 o 7 6 0 4050.38 3936.63 60.00 o 8 6 0 4374.64 4286.31 76.99 o 9 6 0 893.23 796.69 37.64 o 10 6 0 815.97 799.99 35.88 o 11 6 0 181.52 174.86 27.04 o 1 7 0 3855.00 3770.27 43.13 o 2 7 0 5407.11 5317.58 57.74 o 3 7 0 6566.40 6739.77 78.33 o 4 7 0 273.27 304.78 13.28 o 5 7 0 305.14 308.29 14.90 o 6 7 0 1904.53 1779.51 39.75 o 7 7 0 39.84 44.89 12.96 o 8 7 0 990.85 1060.31 36.78 o 9 7 0 111.33 94.69 16.92 o 10 7 0 190.65 198.86 33.68 o 11 7 0 125.24 145.32 29.50 o 0 8 0 14154.19 14580.95 227.63 o 1 8 0 250.33 265.68 12.28 o 2 8 0 6077.53 6174.95 76.31 o 3 8 0 218.08 223.56 12.14 o 4 8 0 4463.84 4495.94 68.43 o 5 8 0 663.25 660.22 19.65 o 6 8 0 6274.10 6016.72 97.25 o 7 8 0 14.46 21.39 12.91 o 8 8 0 1730.41 1823.05 49.68 o 9 8 0 1297.68 1234.48 41.79 o 10 8 0 1272.91 1355.98 45.38 o 1 9 0 8657.46 8773.54 111.65 o 2 9 0 431.57 425.36 13.33 o 3 9 0 1157.27 1174.81 24.13 o 4 9 0 3234.81 3123.67 51.27 o 5 9 0 1036.84 1030.26 28.99 o 6 9 0 1832.48 1862.96 39.19 o 7 9 0 1.76 -0.97 15.45 o 8 9 0 54.41 65.15 16.64 o 9 9 0 394.41 419.72 29.00 o 10 9 0 488.20 458.33 31.10 o 0 10 0 5613.34 5597.42 123.72 o 1 10 0 965.48 1031.82 28.80 o 2 10 0 6131.24 6152.42 105.89 o 3 10 0 799.92 804.64 29.26 o 4 10 0 4332.33 4172.28 64.03 o 5 10 0 29.11 33.62 12.07 o 6 10 0 415.19 431.08 18.76 o 7 10 0 704.93 661.18 25.22 o 8 10 0 1739.78 1749.92 51.83 o 9 10 0 35.21 31.59 16.14 o 1 11 0 730.29 724.79 25.36 o 2 11 0 5.16 13.63 13.06 o 3 11 0 2342.60 2317.54 54.54 o 4 11 0 123.44 128.92 17.59 o 5 11 0 498.13 541.19 27.60 o 6 11 0 709.32 755.54 45.04 o 7 11 0 315.96 289.71 31.84 o 8 11 0 921.09 844.03 41.08 o 0 12 0 1903.84 1809.28 113.05 o 1 12 0 501.09 504.06 25.50 o 2 12 0 239.64 264.69 24.01 o 3 12 0 112.64 108.70 17.50 o 4 12 0 2136.37 2028.06 52.84 o 5 12 0 84.24 49.84 25.61 o 6 12 0 4697.23 4523.13 120.89 o 7 12 0 14.43 17.19 18.17 o 1 13 0 2071.26 2011.36 59.26 o 2 13 0 238.17 252.42 25.25 o 3 13 0 409.76 342.47 27.22 o 4 13 0 2287.22 2223.58 64.47 o 5 13 0 569.45 544.03 33.42 o 6 13 0 180.41 157.99 27.43 o 0 14 0 1382.85 1275.32 65.89 o 1 14 0 172.79 196.63 30.21 o 2 14 0 2819.91 2826.44 110.30 o 3 14 0 15.82 17.47 17.31 o 4 14 0 1517.19 1495.34 51.87 o 5 14 0 0.93 -2.57 16.98 o 1 15 0 230.71 200.62 27.07 o 2 15 0 22.74 16.71 17.38 o -13 1 1 2526.65 2669.15 79.25 o -12 1 1 207.18 192.74 26.63 o -11 1 1 4927.33 4895.16 110.36 o -10 1 1 32.96 43.85 19.95 o -9 1 1 4473.20 4487.94 95.90 o -8 1 1 244.99 247.11 19.11 o -7 1 1 8047.01 8133.02 104.14 o -6 1 1 2940.80 2863.31 34.84 o -5 1 1 2864.68 2954.66 34.33 o -4 1 1 2252.20 2058.25 23.55 o -3 1 1 136.05 134.05 4.16 o -2 1 1 813.63 750.21 11.18 o -1 1 1 1328.69 1423.24 20.63 o 0 1 1 942.43 810.56 13.88 o 1 1 1 1787.25 1863.10 21.58 o 2 1 1 5051.20 4690.24 45.46 o 3 1 1 16032.20 16312.32 167.59 o 4 1 1 6404.37 6182.04 63.35 o 5 1 1 5614.65 5780.68 60.91 o 6 1 1 2355.48 2347.98 38.32 o 7 1 1 11698.00 11958.11 189.01 o 8 1 1 115.64 123.54 13.95 o 9 1 1 8354.88 8412.99 162.09 o 10 1 1 708.21 739.11 37.02 o 11 1 1 5027.96 4999.67 114.68 o 12 1 1 871.58 855.62 77.54 o -12 2 1 159.69 175.87 29.67 o -11 2 1 52.29 56.18 19.69 o -10 2 1 871.05 904.18 38.85 o -9 2 1 317.47 350.78 24.24 o -8 2 1 0.22 -10.27 10.27 o -7 2 1 991.02 1025.96 24.95 o -6 2 1 910.91 867.17 14.69 o -5 2 1 110.54 109.95 5.03 o -4 2 1 2524.83 2486.81 28.44 o -3 2 1 6478.44 6804.15 68.80 o -2 2 1 540.59 410.17 8.15 o -1 2 1 1317.63 1240.42 18.25 o 0 2 1 743.51 636.87 11.93 o 1 2 1 1476.39 1345.43 14.21 o 2 2 1 332.79 321.05 5.54 o 3 2 1 4204.64 4187.13 41.90 o 4 2 1 360.93 359.20 8.20 o 5 2 1 666.69 723.66 13.19 o 6 2 1 890.60 927.68 26.15 o 7 2 1 2.48 -0.48 10.24 o 8 2 1 0.44 -0.90 10.54 o 9 2 1 86.94 119.22 15.93 o 10 2 1 9.26 54.69 17.19 o 11 2 1 30.10 40.90 20.24 o 12 2 1 37.53 7.89 20.75 o -12 3 1 315.72 428.13 33.57 o -11 3 1 5884.83 5681.59 123.70 o -10 3 1 78.23 14.22 18.40 o -9 3 1 8564.17 8428.10 159.86 o -8 3 1 988.88 983.23 28.95 o -7 3 1 4730.06 4901.19 64.92 o -6 3 1 1938.81 1950.19 29.64 o -5 3 1 1310.60 1405.57 20.73 o -4 3 1 1390.68 1357.14 21.63 o -3 3 1 482.52 554.16 10.32 o -2 3 1 299.04 307.02 8.36 o -1 3 1 236.38 215.59 5.68 o 0 3 1 8515.54 8732.21 94.08 o 1 3 1 1187.55 1083.86 12.21 o 2 3 1 8282.78 8135.21 72.25 o 3 3 1 7283.92 7168.27 71.58 o 4 3 1 994.75 914.68 14.90 o 5 3 1 17162.19 17457.00 175.08 o 6 3 1 0.62 -4.28 6.30 o 7 3 1 11450.74 11484.87 166.01 o 8 3 1 97.92 138.13 14.98 o 9 3 1 5113.93 5020.42 87.64 o 10 3 1 322.08 388.83 27.30 o 11 3 1 2494.38 2634.82 68.50 o 12 3 1 620.32 661.91 43.49 o -12 4 1 44.76 39.94 21.00 o -11 4 1 54.55 96.61 21.62 o -10 4 1 74.07 161.02 23.00 o -9 4 1 62.74 94.45 14.71 o -8 4 1 1.32 12.70 9.94 o -7 4 1 355.48 382.73 14.46 o -6 4 1 325.65 330.82 14.77 o -5 4 1 15.97 15.56 5.65 o -4 4 1 25.86 34.23 5.09 o -3 4 1 1299.34 1198.25 15.65 o -2 4 1 2391.79 2285.11 30.81 o -1 4 1 477.63 486.04 9.06 o 0 4 1 5060.29 4876.48 49.75 o 1 4 1 1508.77 1671.34 18.75 o 2 4 1 2266.99 2095.84 25.23 o 3 4 1 2256.97 2175.12 26.17 o 4 4 1 537.82 560.11 11.03 o 5 4 1 3879.13 3902.35 43.81 o 6 4 1 244.27 285.24 14.31 o 7 4 1 969.22 1005.73 26.85 o 8 4 1 982.95 1047.62 31.83 o 9 4 1 334.89 317.42 21.03 o 10 4 1 1121.40 1288.35 41.80 o 11 4 1 52.94 115.13 24.17 o 12 4 1 337.12 379.83 49.71 o -12 5 1 396.65 442.23 33.81 o -11 5 1 1279.89 1300.77 45.99 o -10 5 1 150.02 203.10 26.68 o -9 5 1 2888.15 2887.69 74.82 o -8 5 1 18.02 26.00 11.09 o -7 5 1 3597.20 3622.62 55.08 o -6 5 1 126.97 131.49 11.40 o -5 5 1 10984.00 10961.88 130.77 o -4 5 1 139.03 142.00 7.07 o -3 5 1 13679.74 13990.62 140.64 o -2 5 1 476.38 476.73 9.21 o -1 5 1 4883.31 4903.19 48.30 o 0 5 1 315.72 343.97 8.50 o 1 5 1 3586.21 3677.34 38.57 o 2 5 1 712.04 644.98 10.85 o 3 5 1 720.96 744.62 12.15 o 4 5 1 2084.26 2049.45 24.78 o 5 5 1 7537.65 7347.80 109.80 o 6 5 1 660.64 657.89 21.32 o 7 5 1 5616.71 5524.94 93.94 o 8 5 1 169.05 172.10 16.96 o 9 5 1 7271.33 7119.72 157.06 o 10 5 1 428.82 456.20 29.50 o 11 5 1 3647.05 3366.22 105.81 o -12 6 1 657.04 747.81 43.56 o -11 6 1 17.61 10.90 19.46 o -10 6 1 772.88 850.18 34.15 o -9 6 1 1428.68 1438.93 40.06 o -8 6 1 603.77 666.03 23.98 o -7 6 1 4017.22 3934.38 63.56 o -6 6 1 121.46 128.69 10.96 o -5 6 1 4981.98 5027.35 69.80 o -4 6 1 2958.60 3022.05 38.22 o -3 6 1 57.56 58.15 5.75 o -2 6 1 4965.24 4784.30 57.29 o -1 6 1 3854.49 3857.70 44.91 o 0 6 1 1513.20 1442.45 19.59 o 1 6 1 7935.89 7965.85 72.76 o 2 6 1 8.48 12.96 3.53 o 3 6 1 2202.51 2226.53 26.13 o 4 6 1 295.20 319.97 11.65 o 5 6 1 449.31 506.55 20.54 o 6 6 1 291.34 338.12 18.05 o 7 6 1 33.01 65.17 20.79 o 8 6 1 421.79 435.68 25.31 o 9 6 1 4.03 26.23 14.24 o 10 6 1 433.25 481.30 30.30 o 11 6 1 6.57 20.23 20.90 o -11 7 1 3272.98 2983.37 84.31 o -10 7 1 255.13 272.76 24.19 o -9 7 1 5177.89 4882.28 97.14 o -8 7 1 37.78 34.65 16.35 o -7 7 1 2974.21 2913.51 84.96 o -6 7 1 158.43 172.50 15.13 o -5 7 1 2121.47 2172.64 46.80 o -4 7 1 1.45 6.35 6.99 o -3 7 1 530.20 555.05 14.18 o -2 7 1 697.85 706.67 13.89 o -1 7 1 1561.12 1582.03 20.38 o 0 7 1 493.14 522.01 10.90 o 1 7 1 12956.83 12941.22 126.45 o 2 7 1 205.98 214.92 7.32 o 3 7 1 12138.06 12010.41 158.60 o 4 7 1 5.94 -2.59 7.14 o 5 7 1 10554.16 10365.17 138.99 o 6 7 1 447.68 471.18 21.90 o 7 7 1 3818.01 3652.12 74.63 o 8 7 1 692.69 695.49 31.97 o 9 7 1 2082.33 1923.06 53.21 o 10 7 1 334.48 330.84 26.63 o 11 7 1 1060.01 928.59 55.56 o -11 8 1 103.24 161.32 26.00 o -10 8 1 132.86 157.88 21.82 o -9 8 1 14.87 25.86 14.56 o -8 8 1 385.81 393.03 23.36 o -7 8 1 9.12 3.47 11.61 o -6 8 1 35.39 46.98 13.85 o -5 8 1 939.98 980.06 28.13 o -4 8 1 3.94 19.30 9.03 o -3 8 1 280.76 266.37 12.50 o -2 8 1 451.72 483.27 12.98 o -1 8 1 1151.82 1155.43 21.42 o 0 8 1 1075.53 1100.26 19.66 o 1 8 1 208.19 249.29 32.27 o 2 8 1 1192.65 1239.13 29.47 o 3 8 1 607.95 599.59 19.86 o 4 8 1 61.10 78.63 10.63 o 5 8 1 1470.62 1451.99 31.60 o 6 8 1 647.60 665.97 24.64 o 7 8 1 2136.42 2159.41 62.54 o 8 8 1 1758.33 1820.89 50.18 o 9 8 1 147.38 177.15 24.21 o 10 8 1 839.06 794.61 35.56 o -10 9 1 597.79 692.27 32.93 o -9 9 1 1502.46 1416.32 54.28 o -8 9 1 1230.30 1275.53 37.42 o -7 9 1 3764.69 3586.07 68.65 o -6 9 1 676.41 698.21 37.64 o -5 9 1 4852.40 4980.08 83.43 o -4 9 1 2.59 26.60 9.52 o -3 9 1 7784.45 7730.66 107.03 o -2 9 1 113.88 127.32 10.85 o -1 9 1 9555.85 9600.69 118.75 o 0 9 1 0.10 6.52 6.85 o 1 9 1 4386.58 4470.52 63.21 o 2 9 1 157.93 159.76 16.81 o 3 9 1 3118.43 3172.27 56.88 o 4 9 1 86.08 106.82 9.66 o 5 9 1 2217.25 2228.91 41.65 o 6 9 1 7.00 10.73 10.97 o 7 9 1 3262.58 3132.12 61.12 o 8 9 1 91.32 97.13 18.27 o 9 9 1 2415.61 2265.41 58.54 o 10 9 1 730.92 644.24 39.13 o -9 10 1 385.17 353.28 24.84 o -8 10 1 300.67 302.01 20.97 o -7 10 1 803.62 854.15 29.61 o -6 10 1 8.59 11.36 12.13 o -5 10 1 771.49 794.97 23.87 o -4 10 1 345.33 370.16 16.10 o -3 10 1 23.35 38.44 8.50 o -2 10 1 338.00 340.73 12.23 o -1 10 1 36.17 54.82 13.78 o 0 10 1 116.56 135.24 12.86 o 1 10 1 1062.68 1037.23 28.99 o 2 10 1 163.32 165.37 14.73 o 3 10 1 1137.98 1178.98 36.45 o 4 10 1 842.19 789.59 30.47 o 5 10 1 458.60 472.94 29.52 o 6 10 1 317.65 282.88 26.02 o 7 10 1 10.99 -8.34 14.73 o 8 10 1 243.52 241.16 27.01 o 9 10 1 92.40 87.30 23.23 o -9 11 1 1353.36 1356.07 53.88 o -8 11 1 236.68 289.76 25.25 o -7 11 1 2786.92 2936.46 53.70 o -6 11 1 100.94 125.07 12.82 o -5 11 1 2944.31 2888.34 52.97 o -4 11 1 580.98 580.46 19.93 o -3 11 1 3165.75 3075.74 64.47 o -2 11 1 318.78 339.04 20.77 o -1 11 1 4316.47 4295.25 81.13 o 0 11 1 13.49 29.88 13.67 o 1 11 1 4503.59 4527.10 76.47 o 2 11 1 100.87 113.02 15.17 o 3 11 1 6138.48 6102.87 124.42 o 4 11 1 583.60 541.90 35.99 o 5 11 1 2370.22 2214.03 73.83 o 6 11 1 1084.11 1080.33 44.86 o 7 11 1 2379.87 2288.28 68.43 o 8 11 1 464.33 473.39 34.06 o -8 12 1 140.46 130.62 24.36 o -7 12 1 94.15 82.64 19.80 o -6 12 1 240.46 218.11 21.12 o -5 12 1 1.06 21.04 14.36 o -4 12 1 123.21 132.54 17.64 o -3 12 1 33.09 35.25 14.58 o -2 12 1 0.36 -2.17 13.15 o -1 12 1 2.93 8.10 14.68 o 0 12 1 45.77 64.10 15.25 o 1 12 1 9.67 27.20 14.49 o 2 12 1 5.67 0.72 15.75 o 3 12 1 456.06 409.19 42.07 o 4 12 1 149.78 158.08 22.71 o 5 12 1 174.70 172.30 31.22 o 6 12 1 695.08 678.32 37.62 o 7 12 1 9.25 -11.49 18.24 o -6 13 1 341.71 383.18 27.75 o -5 13 1 2360.69 2384.66 59.04 o -4 13 1 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