#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/71/2017124.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_2017124_Fobs loop_ _publ_author_name 'Jennene Boukharrata, Nefla' 'Thomas, Philippe' 'Laval, Jean-Paul' _publ_section_title ; GeTe~2~O~6~, a germanium tellurate(IV) with an open framework ; _journal_coeditor_code SQ3186 _journal_issue 5 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i23 _journal_page_last i26 _journal_volume 65 _journal_year 2009 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 91.660 _cell_angle_gamma 90.000 _cell_length_a 5.2201 _cell_length_b 6.9730 _cell_length_c 7.3252 _exptl_crystal_F_000 368.00 _reflns_d_resolution_high 0.7101 _[local]_cod_data_source_file sq3186Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' shelxl in P 21/n' _shelx_refln_list_code 4 _shelx_F_calc_maximum 194.67 _shelx_F_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -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 2 0 0 37018.62 36556.64 312.13 o 4 0 0 20008.65 20475.44 274.19 o 6 0 0 7385.85 7962.23 403.93 o 1 1 0 519.31 515.33 17.50 o 2 1 0 11.52 83.35 33.65 o 3 1 0 214.36 169.91 45.25 o 4 1 0 4105.45 4057.81 91.62 o 5 1 0 243.00 229.04 79.40 o 6 1 0 1462.51 1505.78 213.26 o 7 1 0 6.07 890.57 417.18 o 0 2 0 1077.50 1143.41 31.39 o 1 2 0 275.96 254.88 23.07 o 2 2 0 164.19 178.68 27.29 o 3 2 0 4098.50 4031.59 71.76 o 4 2 0 6.43 91.40 61.71 o 5 2 0 3508.36 3549.34 151.30 o 6 2 0 13.70 210.16 226.31 o 7 2 0 2669.58 2663.08 531.52 o 1 3 0 37896.56 37829.68 273.41 o 2 3 0 1.28 -11.88 31.69 o 3 3 0 21637.18 21706.50 290.08 o 4 3 0 14.14 -13.63 80.12 o 5 3 0 9897.61 10043.20 247.83 o 6 3 0 30.16 -134.83 242.09 o 0 4 0 3957.85 4082.82 90.98 o 1 4 0 165.79 218.36 60.15 o 2 4 0 1935.04 1945.95 100.94 o 3 4 0 646.75 668.51 56.07 o 4 4 0 830.93 887.55 104.13 o 5 4 0 906.44 1456.48 213.96 o 6 4 0 99.62 266.52 424.59 o 1 5 0 28.22 14.37 50.00 o 2 5 0 809.73 855.64 104.22 o 3 5 0 12.19 -92.65 100.74 o 4 5 0 2740.49 2590.14 160.39 o 5 5 0 258.90 430.63 239.58 o 6 5 0 2147.31 1686.22 483.19 o 0 6 0 16549.03 16584.54 310.61 o 1 6 0 95.55 255.19 78.03 o 2 6 0 11815.27 11908.86 224.75 o 3 6 0 287.20 343.45 102.49 o 4 6 0 7980.76 7770.26 274.58 o 5 6 0 319.07 549.05 340.64 o 1 7 0 2954.94 2912.57 129.66 o 2 7 0 217.13 102.38 141.51 o 3 7 0 634.10 769.22 194.65 o 4 7 0 712.22 1085.44 523.08 o 5 7 0 876.72 379.48 395.98 o 0 8 0 263.27 504.21 265.54 o 1 8 0 4.71 -164.69 182.67 o 2 8 0 231.31 169.30 264.14 o 3 8 0 821.79 619.74 353.02 o 4 8 0 243.70 533.49 320.87 o 1 9 0 6632.60 5959.67 419.35 o 2 9 0 126.39 197.13 388.15 o -7 0 1 1515.52 1845.94 389.98 o -5 0 1 1397.38 1485.29 141.57 o -3 0 1 372.56 394.03 48.40 o 1 0 1 2431.90 2457.40 37.54 o 3 0 1 3108.74 3139.83 77.43 o 5 0 1 3898.44 3896.43 152.57 o 7 0 1 4769.15 4543.74 716.23 o -7 1 1 389.77 888.47 461.57 o -6 1 1 4782.85 4796.41 277.36 o -5 1 1 2462.84 2346.60 109.10 o -4 1 1 8378.83 8167.79 123.18 o -3 1 1 9875.10 9799.37 122.15 o -2 1 1 7469.30 7406.72 102.63 o -1 1 1 21862.67 22080.04 178.49 o 1 1 1 24487.85 24604.99 137.59 o 2 1 1 505.48 432.63 19.47 o 3 1 1 15262.34 15189.20 128.48 o 4 1 1 43.53 95.46 44.13 o 5 1 1 4174.96 3872.41 131.46 o 6 1 1 6.16 380.23 232.33 o 7 1 1 1738.01 1800.16 421.20 o -7 2 1 2289.76 476.22 773.50 o -6 2 1 2399.29 2168.60 244.53 o -5 2 1 3264.84 3307.14 138.03 o -4 2 1 3566.26 3500.39 143.60 o -3 2 1 6677.72 6577.99 114.27 o -2 2 1 14875.12 14946.06 155.66 o -1 2 1 6805.70 6994.52 71.54 o 0 2 1 19576.84 19515.99 152.66 o 1 2 1 1497.69 1431.57 42.02 o 2 2 1 10477.20 10380.18 94.56 o 3 2 1 1135.76 1124.54 41.01 o 4 2 1 11323.91 11034.94 131.80 o 5 2 1 53.86 -60.42 99.15 o 6 2 1 3067.01 3223.34 248.04 o 7 2 1 7.10 -319.70 375.97 o -6 3 1 1916.55 1452.78 257.59 o -5 3 1 64.14 311.51 155.46 o -4 3 1 1840.01 1697.51 93.36 o -3 3 1 151.30 96.89 62.17 o -2 3 1 8.65 6.97 32.94 o -1 3 1 3733.63 3843.86 54.75 o 0 3 1 174.65 268.68 38.74 o 1 3 1 807.89 876.85 47.42 o 2 3 1 4217.36 4281.50 77.11 o 3 3 1 731.11 807.55 71.49 o 4 3 1 4650.65 4582.54 136.80 o 5 3 1 311.07 246.30 111.41 o 6 3 1 3532.04 3139.74 283.78 o -6 4 1 1004.59 577.77 422.05 o -5 4 1 5825.52 5785.42 347.84 o -4 4 1 1748.61 1689.65 104.49 o -3 4 1 3939.81 3831.70 90.28 o -2 4 1 8854.04 8776.00 123.51 o -1 4 1 5072.14 5227.52 77.85 o 0 4 1 13697.16 14146.87 150.59 o 1 4 1 3751.49 3826.85 92.46 o 2 4 1 6977.72 6909.18 132.70 o 3 4 1 117.78 133.83 69.66 o 4 4 1 6018.49 6198.81 187.37 o 5 4 1 118.08 -93.40 246.90 o 6 4 1 1420.01 1397.79 631.13 o -6 5 1 1018.57 833.07 409.94 o -5 5 1 2353.47 2328.08 278.49 o -4 5 1 1520.45 1436.74 139.99 o -3 5 1 4844.24 4812.99 132.33 o -2 5 1 1003.04 1031.00 83.07 o -1 5 1 13679.14 13667.55 172.18 o 0 5 1 2675.00 2670.98 69.38 o 1 5 1 8921.64 8931.02 145.57 o 2 5 1 1340.89 1501.59 97.06 o 3 5 1 9284.00 8815.54 194.80 o 4 5 1 495.46 458.25 150.57 o 5 5 1 4647.53 4471.39 381.96 o 6 5 1 343.87 388.83 393.18 o -5 6 1 1579.70 1535.94 303.55 o -4 6 1 466.92 199.54 196.76 o -3 6 1 511.80 685.72 148.16 o -2 6 1 864.84 849.68 98.93 o -1 6 1 34.48 -83.57 83.57 o 0 6 1 844.53 913.42 74.58 o 1 6 1 606.69 581.57 121.89 o 2 6 1 1366.85 1502.00 140.12 o 3 6 1 3049.81 2958.42 169.79 o 4 6 1 592.49 546.98 368.74 o 5 6 1 2626.96 2652.76 398.82 o -5 7 1 657.38 272.56 577.26 o -4 7 1 3035.90 2943.61 287.89 o -3 7 1 1359.17 1316.64 190.92 o -2 7 1 3030.50 3043.78 169.92 o -1 7 1 2261.84 2350.86 130.10 o 0 7 1 1827.22 2013.72 136.67 o 1 7 1 2404.41 2550.84 191.79 o 2 7 1 451.48 198.35 139.28 o 3 7 1 2169.29 2299.56 240.83 o 4 7 1 127.09 80.68 243.13 o 5 7 1 1138.50 840.31 679.55 o -4 8 1 2254.51 1136.66 431.26 o -3 8 1 642.68 913.84 338.78 o -2 8 1 4983.82 5549.54 412.69 o -1 8 1 576.52 589.51 190.92 o 0 8 1 6246.90 6165.23 260.83 o 1 8 1 468.73 433.96 213.67 o 2 8 1 6416.34 6068.34 289.98 o 3 8 1 652.52 472.76 330.98 o 4 8 1 3655.36 2637.22 387.01 o -2 9 1 86.74 207.45 443.14 o -1 9 1 1165.07 1511.94 371.79 o 0 9 1 98.58 -109.90 372.62 o 1 9 1 511.03 948.29 316.15 o 2 9 1 540.30 720.51 311.36 o -6 0 2 6.58 304.69 383.25 o -4 0 2 280.83 337.80 67.45 o -2 0 2 13976.53 14702.94 199.97 o 0 0 2 9117.58 9082.60 131.31 o 2 0 2 15890.52 16198.23 155.43 o 4 0 2 7249.82 7251.49 251.14 o 6 0 2 1433.67 1385.16 326.99 o -7 1 2 1050.54 533.04 466.08 o -6 1 2 5074.42 5084.30 312.63 o -5 1 2 2743.14 2843.63 152.65 o -4 1 2 3362.87 3362.71 98.60 o -3 1 2 8362.66 8324.35 110.90 o -2 1 2 5706.84 5581.62 80.92 o -1 1 2 11073.65 10965.86 108.85 o 0 1 2 6320.07 6522.46 73.35 o 1 1 2 14247.85 13903.83 98.07 o 2 1 2 16.69 113.08 24.59 o 3 1 2 11871.46 11859.52 115.01 o 4 1 2 24.69 -17.65 57.63 o 5 1 2 5398.34 5297.62 154.12 o 6 1 2 645.63 702.54 299.76 o 7 1 2 3212.77 3573.88 378.87 o -7 2 2 3943.57 3591.10 391.13 o -6 2 2 1320.06 1275.19 239.05 o -5 2 2 6175.15 5810.49 170.63 o -4 2 2 2483.82 2540.00 99.54 o -3 2 2 8471.83 8671.26 138.23 o -2 2 2 10262.88 10499.55 109.21 o -1 2 2 8831.99 9138.83 101.93 o 0 2 2 6904.30 6851.88 89.17 o 1 2 2 299.05 273.89 27.22 o 2 2 2 8408.84 8126.60 92.67 o 3 2 2 4.63 17.35 32.70 o 4 2 2 6499.83 6456.87 125.67 o 5 2 2 927.92 989.97 160.16 o 6 2 2 2205.79 1966.24 246.01 o -6 3 2 31.01 -141.65 259.63 o -5 3 2 101.97 70.85 159.10 o -4 3 2 39.54 -11.83 98.38 o -3 3 2 2326.92 2314.43 112.91 o -2 3 2 84.77 94.20 48.20 o -1 3 2 3993.56 3997.96 69.95 o 0 3 2 14.69 -37.84 37.84 o 1 3 2 8819.73 8881.91 127.14 o 2 3 2 295.28 279.78 38.92 o 3 3 2 6582.95 6504.86 116.02 o 4 3 2 37.76 54.60 85.52 o 5 3 2 2331.05 2273.55 186.55 o 6 3 2 11.72 262.74 392.14 o -6 4 2 1138.08 1292.90 419.48 o -5 4 2 2113.25 2176.54 239.42 o -4 4 2 4689.22 4842.09 178.56 o -3 4 2 3030.10 2940.37 95.36 o -2 4 2 11245.75 11104.41 141.14 o -1 4 2 1729.12 1632.78 59.22 o 0 4 2 14852.24 14521.45 178.94 o 1 4 2 488.04 623.25 69.74 o 2 4 2 17177.43 16457.19 235.49 o 3 4 2 234.27 288.65 87.15 o 4 4 2 7717.57 7948.19 253.10 o 5 4 2 243.43 76.14 252.96 o 6 4 2 4071.79 3820.36 401.96 o -6 5 2 4182.01 4104.64 703.58 o -5 5 2 1214.42 1481.28 255.09 o -4 5 2 4375.38 5090.95 228.07 o -3 5 2 2133.91 2123.81 119.84 o -2 5 2 5522.19 5567.11 154.68 o -1 5 2 3634.31 3561.00 95.18 o 0 5 2 1816.51 1919.15 73.96 o 1 5 2 6521.27 6749.13 139.51 o 2 5 2 84.68 173.39 107.27 o 3 5 2 2542.15 2913.79 145.42 o 4 5 2 68.95 201.06 157.07 o 5 5 2 1559.47 1192.40 221.14 o 6 5 2 985.33 386.10 588.09 o -5 6 2 558.74 385.49 345.36 o -4 6 2 294.98 251.08 230.10 o -3 6 2 135.76 240.13 202.05 o -2 6 2 1455.65 1628.96 127.90 o -1 6 2 906.68 990.01 93.33 o 0 6 2 1695.65 1684.84 86.74 o 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o -1 3 3 401.59 429.13 49.35 o 0 3 3 11379.67 11440.76 189.03 o 1 3 3 1177.67 1194.18 94.48 o 2 3 3 6583.09 6634.36 107.63 o 3 3 3 900.67 938.53 68.88 o 4 3 3 1614.16 1352.43 143.75 o 5 3 3 79.85 34.05 182.66 o 6 3 3 13.90 111.49 379.85 o -6 4 3 4.08 -142.57 371.49 o -5 4 3 334.01 368.05 271.87 o -4 4 3 895.28 1342.62 227.95 o -3 4 3 712.13 734.57 88.67 o -2 4 3 3706.98 3732.11 126.31 o -1 4 3 357.19 282.63 55.18 o 0 4 3 5163.92 5456.91 125.04 o 1 4 3 92.07 129.66 111.19 o 2 4 3 8634.07 8457.33 158.16 o 3 4 3 29.06 9.14 75.63 o 4 4 3 4059.77 3889.22 176.77 o 5 4 3 753.67 680.91 308.22 o 6 4 3 2063.48 1931.90 476.20 o -5 5 3 289.70 116.49 285.95 o -4 5 3 375.15 741.52 223.72 o -3 5 3 2752.15 2785.64 163.46 o -2 5 3 179.88 282.76 115.93 o -1 5 3 3685.06 3897.47 116.15 o 0 5 3 370.60 526.72 105.58 o 1 5 3 8950.18 9162.54 284.87 o 2 5 3 666.81 672.08 76.23 o 3 5 3 6961.77 6798.26 198.64 o 4 5 3 152.89 442.17 193.26 o 5 5 3 4480.24 4145.53 287.54 o -5 6 3 6681.48 6028.62 530.09 o -4 6 3 203.71 82.12 271.88 o -3 6 3 10401.40 10689.89 338.87 o -2 6 3 133.39 155.81 143.19 o -1 6 3 8899.44 9346.26 179.58 o 0 6 3 1153.57 1181.06 99.97 o 1 6 3 4327.63 4403.92 148.14 o 2 6 3 701.64 701.76 119.44 o 3 6 3 1719.91 1357.11 193.54 o 4 6 3 391.94 438.72 274.56 o 5 6 3 50.31 436.95 355.36 o -4 7 3 835.01 790.78 271.66 o -3 7 3 507.81 622.56 287.34 o -2 7 3 463.63 539.88 191.68 o -1 7 3 1054.47 935.88 143.11 o 0 7 3 29.85 15.12 119.25 o 1 7 3 1813.52 1776.63 180.02 o 2 7 3 88.50 -11.29 155.05 o 3 7 3 1559.53 1461.44 285.18 o 4 7 3 322.35 478.84 227.40 o -3 8 3 342.00 457.59 330.79 o -2 8 3 1636.69 2063.60 446.56 o -1 8 3 429.90 494.64 218.99 o 0 8 3 4896.26 5023.49 259.67 o 1 8 3 246.80 423.54 194.82 o 2 8 3 4775.65 4158.14 258.02 o 3 8 3 334.39 450.70 315.82 o -2 9 3 3430.18 3796.68 811.95 o -1 9 3 203.70 234.29 361.86 o 0 9 3 2441.98 1292.95 425.34 o 1 9 3 638.47 694.84 330.86 o -6 0 4 94.57 316.11 398.48 o -4 0 4 3853.70 3944.59 207.84 o -2 0 4 8384.47 7899.06 237.83 o 0 0 4 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