#------------------------------------------------------------------------------ #$Date: 2016-04-02 22:24:05 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180860 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/91/2019132.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_2019132_Fobs loop_ _publ_author_name 'Redhammer, G\"unther J.' 'Tippelt, Gerold' _publ_section_title ; The tetragermanates A~2~Ge~4~O~9~ (A = Na, K and Rb) ; _journal_coeditor_code FN3142 _journal_issue 9 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 995 _journal_page_last 1001 _journal_volume 69 _journal_year 2013 _space_group_IT_number 165 _symmetry_space_group_name_Hall '-P 3 2"c' _symmetry_space_group_name_H-M 'P -3 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 11.3216 _cell_length_b 11.3216 _cell_length_c 9.6946 _exptl_crystal_F_000 1332.00 _reflns_d_resolution_high 0.7390 _cod_data_source_file fn3142Na2Ge4O9sup2.hkl _cod_data_source_block Na2Ge4O9 #BEGIN Tags that were not found in dictionaries: _shelx_title ' Na2Ge4O9 aus Flux NGG' _shelx_refln_list_code 4 _shelx_f_calc_maximum 506.74 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'x-y, -y, -z+1/2' '-x, -x+y, -z+1/2' 'y, x, -z+1/2' '-x, -y, -z' 'y, -x+y, -z' 'x-y, x, -z' '-x+y, y, z-1/2' 'x, x-y, z-1/2' '-y, -x, 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 0 1 0 5.34 43.20 4.50 o -1 2 0 51464.34 51455.51 445.13 o 0 2 0 1072.02 1085.71 32.44 o -1 3 0 765.86 763.91 19.79 o 0 3 0 1840.18 1973.51 45.86 o -2 4 0 14107.52 13394.95 122.77 o -1 4 0 915.66 877.67 25.60 o 0 4 0 71.05 52.99 13.43 o -2 5 0 536.79 644.47 23.51 o -1 5 0 21980.19 20635.87 133.62 o 0 5 0 490.68 521.11 32.28 o -3 6 0 3413.37 3350.84 69.15 o -2 6 0 18.03 41.36 10.60 o -1 6 0 272.04 310.71 20.11 o 0 6 0 256788.48 250816.50 1824.46 o -3 7 0 9.81 1.26 11.91 o -2 7 0 26786.25 26846.35 175.56 o -1 7 0 78.38 115.77 16.66 o 0 7 0 1151.12 1104.39 55.50 o -4 8 0 1415.95 1396.70 61.11 o -3 8 0 2516.68 2544.00 50.19 o -2 8 0 3853.60 3680.13 69.82 o -1 8 0 35.57 66.11 19.60 o 0 8 0 6029.26 5887.23 144.60 o -4 9 0 30.62 56.35 20.65 o -3 9 0 9019.82 8832.00 121.57 o -2 9 0 547.93 562.28 45.79 o -1 9 0 1582.20 1515.06 65.69 o 0 9 0 2162.29 2142.78 117.83 o -5 10 0 68118.67 68096.81 883.47 o -4 10 0 395.44 417.16 36.87 o -3 10 0 258.52 264.65 34.61 o -2 10 0 2128.21 2289.92 99.69 o -1 10 0 670.35 687.10 54.34 o 0 10 0 149.41 150.84 56.36 o -5 11 0 1.71 20.46 24.31 o -4 11 0 18367.83 18035.81 245.31 o -3 11 0 657.99 652.91 60.13 o -2 11 0 14.09 3.99 28.50 o -1 11 0 24867.04 24545.24 429.75 o 0 11 0 174.95 296.47 64.10 o -6 12 0 66156.40 68394.50 852.17 o -5 12 0 478.90 594.92 57.28 o -4 12 0 37.10 22.67 28.95 o -3 12 0 146.64 139.96 37.04 o -2 12 0 520.88 511.09 56.15 o -1 12 0 127.05 157.66 40.94 o 0 12 0 60302.88 62057.08 1059.89 o -6 13 0 491.75 503.30 58.40 o -5 13 0 41.23 30.32 49.10 o -4 13 0 167.36 191.57 43.41 o -3 13 0 675.49 697.10 64.77 o -2 13 0 5040.08 5584.47 187.15 o -1 13 0 180.34 272.93 44.59 o 0 13 0 1058.11 1140.05 285.47 o -7 14 0 13.05 85.58 115.22 o -6 14 0 2964.07 3042.63 155.45 o -5 14 0 2406.00 2849.05 141.54 o -4 14 0 72.01 58.55 51.01 o -3 14 0 1597.10 1636.86 142.86 o -2 14 0 426.10 733.75 155.65 o -7 15 0 518.20 634.12 185.66 o -6 15 0 1436.09 1541.72 173.52 o -5 15 0 350.40 1051.96 259.73 o -1 2 1 23994.30 24553.93 181.66 o -2 3 1 6803.10 6822.66 51.66 o -1 3 1 4441.17 4184.66 40.01 o -3 4 1 168.14 189.73 12.28 o -2 4 1 148354.17 145376.83 750.78 o -1 4 1 259.45 280.84 15.47 o -4 5 1 628.04 620.89 23.21 o -3 5 1 132.98 201.09 14.03 o -2 5 1 2917.47 2883.75 39.76 o -1 5 1 148.04 258.12 15.55 o -5 6 1 3821.44 3727.43 54.59 o -4 6 1 2517.70 2444.01 62.03 o -3 6 1 6697.11 6295.81 74.32 o -2 6 1 1969.35 1844.31 38.70 o -1 6 1 1519.05 1424.50 35.31 o -6 7 1 892.68 841.33 35.79 o -5 7 1 4222.33 4205.79 70.78 o -4 7 1 4124.44 4096.37 64.28 o -3 7 1 514.55 439.63 23.27 o -2 7 1 10290.32 10178.71 91.57 o -1 7 1 1275.64 1298.54 46.44 o -7 8 1 19718.82 19340.78 166.43 o -6 8 1 172.89 197.19 23.27 o -5 8 1 2414.56 2408.07 59.90 o -4 8 1 83631.48 84857.72 428.53 o -3 8 1 2274.66 2187.97 60.64 o -2 8 1 1765.55 1738.28 56.07 o -1 8 1 15141.56 14818.82 153.03 o -8 9 1 994.75 992.14 54.18 o -7 9 1 273.95 290.58 30.11 o -6 9 1 7217.91 7050.40 126.64 o -5 9 1 67.21 72.00 19.50 o -4 9 1 48.90 72.71 19.43 o -3 9 1 6972.87 6664.22 119.40 o -2 9 1 1524.87 1586.39 61.65 o -1 9 1 1717.28 1552.30 66.53 o -9 10 1 375.97 367.17 44.97 o -8 10 1 38929.44 39229.85 353.30 o -7 10 1 7224.54 7292.55 128.02 o -6 10 1 1141.85 1090.62 60.32 o -5 10 1 38.78 61.52 23.54 o -4 10 1 756.76 731.53 47.50 o -3 10 1 51.55 136.91 26.04 o -2 10 1 37148.18 36554.16 343.98 o -1 10 1 3852.39 3827.08 114.54 o -10 11 1 537.41 563.03 64.54 o -9 11 1 637.55 709.32 63.68 o -8 11 1 54.77 -5.95 26.49 o -7 11 1 17.63 84.90 27.31 o -6 11 1 378.98 362.93 40.56 o -5 11 1 468.23 490.14 43.03 o -4 11 1 1511.98 1617.73 83.61 o -3 11 1 410.17 412.73 46.46 o -2 11 1 159.70 220.37 36.01 o -1 11 1 1.09 -8.64 32.15 o -11 12 1 1015.57 1027.17 84.06 o -10 12 1 2363.99 2342.00 121.60 o -9 12 1 6832.37 7065.35 167.14 o -8 12 1 1301.68 1486.18 88.06 o -7 12 1 767.03 783.98 64.30 o -6 12 1 793.89 988.84 71.08 o -5 12 1 2696.33 2694.77 119.03 o -4 12 1 1024.72 1068.16 73.12 o -3 12 1 8814.04 9173.72 191.23 o -2 12 1 3704.50 3708.00 153.69 o -1 12 1 197.62 210.57 45.16 o -12 13 1 109.66 162.80 42.54 o -11 13 1 193.49 214.38 61.75 o -10 13 1 4562.85 4766.20 194.65 o -9 13 1 142.29 144.51 37.81 o -8 13 1 4899.23 5103.72 184.76 o -7 13 1 92.62 169.97 42.76 o -6 13 1 1.64 23.04 36.66 o -5 13 1 3141.18 3201.85 141.76 o -4 13 1 1156.63 1288.00 88.61 o -3 13 1 89.32 128.28 46.64 o -2 13 1 1074.10 1337.28 94.59 o -1 13 1 830.95 719.40 78.82 o -12 14 1 25.68 157.12 183.74 o -11 14 1 257.11 201.81 63.85 o -10 14 1 11272.79 11516.10 271.47 o -9 14 1 247.74 364.48 53.62 o -8 14 1 15.71 20.52 39.07 o -7 14 1 5823.68 6253.51 243.71 o -6 14 1 41.89 41.57 39.89 o -5 14 1 104.12 162.75 50.53 o -4 14 1 8845.07 9109.33 221.44 o -3 14 1 9.48 164.54 53.45 o -2 14 1 21.96 158.60 146.79 o -9 15 1 1466.11 1733.84 392.22 o -8 15 1 110.59 208.84 79.77 o -7 15 1 740.69 998.64 245.34 o -6 15 1 500.82 390.08 202.47 o -5 15 1 496.61 163.96 114.86 o 0 0 2 81872.98 86666.20 789.45 o -1 1 2 2120.10 2265.59 34.31 o 0 1 2 1758.58 1656.64 28.01 o -2 2 2 10690.05 11201.20 114.05 o -1 2 2 10705.38 11282.47 72.39 o 0 2 2 5271.27 5588.64 60.61 o -3 3 2 71712.43 71521.99 421.66 o -2 3 2 28116.21 27825.97 148.62 o -1 3 2 12282.65 12251.68 88.62 o 0 3 2 137738.22 137083.66 870.72 o -4 4 2 8201.37 8302.83 106.23 o -2 4 2 59584.87 58344.82 275.64 o -1 4 2 2635.16 2647.17 40.38 o 0 4 2 35360.28 37757.71 295.89 o -5 5 2 22916.69 22312.40 224.24 o -4 5 2 1181.86 1165.26 29.35 o -3 5 2 17550.97 18088.78 113.79 o -2 5 2 11170.20 11490.53 95.24 o -1 5 2 95.75 169.87 15.59 o 0 5 2 5458.99 5302.66 80.80 o -6 6 2 35949.01 35977.25 319.28 o -5 6 2 4487.44 4340.66 61.71 o -4 6 2 13.32 29.15 10.92 o -3 6 2 77922.40 78752.59 381.32 o -2 6 2 1466.78 1405.17 39.13 o -1 6 2 14.76 103.67 15.09 o 0 6 2 25470.64 25367.51 257.80 o -7 7 2 4642.67 4420.11 121.83 o -6 7 2 34.40 33.23 17.74 o -5 7 2 7121.18 6991.94 82.30 o -4 7 2 11249.99 11082.45 111.54 o -3 7 2 9605.06 9313.45 102.66 o -2 7 2 2267.52 2400.84 52.95 o -1 7 2 51.34 60.03 18.35 o 0 7 2 87.45 104.87 28.71 o -8 8 2 20918.39 19509.15 295.83 o -7 8 2 13367.42 13254.26 151.83 o -6 8 2 13.68 51.54 17.68 o -5 8 2 1325.16 1475.65 55.30 o -4 8 2 41865.24 41263.62 284.58 o -3 8 2 18575.30 18213.74 163.20 o -2 8 2 3455.22 3361.87 70.93 o -1 8 2 14646.98 14454.16 155.50 o 0 8 2 248.82 326.56 47.48 o -9 9 2 13726.54 13222.66 245.19 o -8 9 2 13611.33 13653.43 168.47 o -7 9 2 9362.77 9140.83 129.24 o -6 9 2 47310.73 47216.56 324.30 o -5 9 2 2311.98 2346.37 71.21 o -4 9 2 2393.92 2504.51 74.51 o -3 9 2 25679.15 25161.90 223.35 o -2 9 2 19845.31 19431.94 195.24 o -1 9 2 804.65 897.26 47.43 o 0 9 2 27861.89 27319.67 380.41 o -10 10 2 341.08 255.36 60.65 o -9 10 2 3472.48 3233.46 123.58 o -8 10 2 20336.79 20055.82 227.91 o -7 10 2 1362.29 1306.01 61.28 o -6 10 2 24.29 47.21 19.12 o -5 10 2 2214.10 1968.72 73.31 o -4 10 2 1056.65 1107.80 55.15 o -3 10 2 2128.06 2247.81 80.51 o -2 10 2 20669.91 20423.34 227.75 o -1 10 2 490.10 588.75 47.36 o 0 10 2 392.21 380.05 70.53 o -11 11 2 245.72 248.94 62.00 o -10 11 2 310.04 393.66 49.02 o -9 11 2 2033.70 1923.04 97.73 o -8 11 2 11.64 80.43 26.57 o -7 11 2 54.32 45.84 28.76 o -6 11 2 2551.85 2543.50 101.90 o -5 11 2 289.81 258.49 37.30 o -4 11 2 15.76 52.76 26.02 o -3 11 2 5161.43 5377.06 137.13 o -2 11 2 1080.59 1082.46 72.31 o -1 11 2 1677.07 1772.53 98.08 o 0 11 2 1795.35 1897.80 160.69 o -12 12 2 3462.81 3501.60 227.67 o -11 12 2 1369.64 1485.25 107.68 o -10 12 2 153.01 211.48 41.70 o -9 12 2 17707.73 17630.92 277.40 o -8 12 2 1540.49 1665.48 95.48 o -7 12 2 107.57 142.82 32.31 o -6 12 2 6598.60 6786.11 159.32 o -5 12 2 519.50 621.54 57.70 o -4 12 2 3060.50 3030.00 128.34 o -3 12 2 14797.57 14488.11 278.58 o -2 12 2 1688.02 1728.13 97.04 o -1 12 2 3.04 -12.26 36.69 o 0 12 2 2213.40 2347.59 178.47 o -13 13 2 4428.97 5189.16 496.44 o -12 13 2 250.03 207.83 70.73 o -11 13 2 4323.05 4502.81 184.15 o -10 13 2 828.23 884.43 75.50 o -9 13 2 247.58 318.46 47.16 o -8 13 2 1430.08 1666.49 107.20 o -7 13 2 1742.60 1795.82 105.76 o -6 13 2 479.02 635.65 61.23 o -5 13 2 15707.04 16272.04 291.28 o -4 13 2 2779.60 2971.56 145.64 o -3 13 2 3935.36 4133.58 173.30 o -2 13 2 846.74 896.13 87.79 o -1 13 2 9.77 -50.32 50.32 o 0 13 2 486.78 757.17 169.14 o -11 14 2 4.49 31.78 125.78 o -10 14 2 7239.71 7653.21 223.92 o -9 14 2 11223.08 10921.39 259.50 o -8 14 2 2350.32 2242.89 129.42 o -7 14 2 9329.41 9807.19 231.35 o -6 14 2 348.97 463.90 58.50 o -5 14 2 1195.28 1308.62 99.20 o -4 14 2 8778.13 9233.09 249.14 o -3 14 2 7160.70 7422.12 346.88 o -8 15 2 5260.14 5951.45 386.87 o -7 15 2 401.27 475.61 146.20 o -1 2 3 36471.70 37744.56 167.44 o -2 3 3 35399.55 36273.25 181.83 o -1 3 3 13905.72 14337.53 89.74 o -3 4 3 470.49 476.17 21.97 o -2 4 3 42823.49 43477.56 209.18 o -1 4 3 19172.51 18489.43 122.30 o -4 5 3 27637.43 27195.89 167.93 o -3 5 3 11710.56 11526.66 116.25 o -2 5 3 3446.71 3456.64 52.59 o -1 5 3 8720.45 8622.74 82.37 o -5 6 3 3053.65 2892.10 57.82 o -4 6 3 1197.02 1138.55 37.93 o -3 6 3 4765.01 4579.10 65.71 o -2 6 3 295.17 333.31 22.87 o -1 6 3 600.80 662.39 31.56 o -6 7 3 64.86 57.20 17.95 o -5 7 3 6154.69 6307.85 87.42 o -4 7 3 26609.06 25827.72 219.50 o -3 7 3 4093.93 4042.73 73.21 o -2 7 3 24606.60 24416.51 183.19 o -1 7 3 1554.34 1455.03 54.76 o -7 8 3 20315.04 20309.59 203.50 o -6 8 3 1150.41 1196.23 50.66 o -5 8 3 5314.64 4997.69 87.73 o -4 8 3 17059.76 16406.50 162.22 o -3 8 3 7587.55 7271.88 134.64 o -2 8 3 3260.63 3080.57 75.44 o -1 8 3 11759.12 11439.10 138.75 o -8 9 3 5915.92 5696.81 112.88 o -7 9 3 2923.25 2746.74 78.06 o -6 9 3 1133.85 1250.13 55.15 o -5 9 3 1548.38 1707.25 67.61 o -4 9 3 145.36 139.86 24.71 o -3 9 3 2663.49 2617.44 79.34 o -2 9 3 11014.76 10544.75 137.30 o -1 9 3 3131.38 2988.36 93.29 o -9 10 3 514.56 523.26 43.46 o -8 10 3 10544.52 10446.20 153.32 o -7 10 3 14168.17 13575.40 168.11 o -6 10 3 1405.17 1295.26 60.53 o -5 10 3 1508.36 1582.20 70.53 o -4 10 3 250.66 186.04 28.87 o -3 10 3 1976.59 1978.68 74.62 o -2 10 3 9161.81 8896.73 137.41 o -1 10 3 6141.71 6159.01 115.72 o -10 11 3 2046.33 1972.86 104.99 o -9 11 3 412.95 374.51 43.23 o -8 11 3 17.73 -2.00 28.24 o -7 11 3 100.16 195.10 31.95 o -6 11 3 1026.94 971.48 60.63 o -5 11 3 83.65 70.36 25.34 o -4 11 3 8625.33 8458.07 140.72 o -3 11 3 39.37 42.70 24.60 o -2 11 3 17.42 77.40 29.44 o -1 11 3 538.30 586.78 52.87 o -11 12 3 2845.36 3019.35 135.75 o -10 12 3 524.03 558.70 62.03 o -9 12 3 3522.30 3618.97 140.31 o -8 12 3 32.31 14.78 44.82 o -7 12 3 289.17 371.60 44.46 o -6 12 3 192.20 321.38 44.65 o -5 12 3 1835.46 1733.75 95.96 o -4 12 3 495.51 538.69 53.56 o -3 12 3 7817.96 7388.88 171.09 o -2 12 3 92.12 103.44 36.45 o -1 12 3 15.51 9.66 39.86 o -12 13 3 20.07 78.64 55.67 o -11 13 3 136.18 311.14 44.37 o -10 13 3 13747.00 13909.81 286.56 o -9 13 3 900.19 1168.78 89.15 o -8 13 3 6684.63 6683.59 203.79 o -7 13 3 1184.29 1344.99 85.40 o -6 13 3 0.95 119.42 33.84 o -5 13 3 1823.22 1846.51 112.65 o -4 13 3 9591.14 9319.21 221.27 o -3 13 3 2025.17 1936.29 113.97 o -2 13 3 4531.85 4489.80 186.66 o -1 13 3 835.64 985.42 128.78 o -11 14 3 89.55 504.16 131.74 o -10 14 3 5054.34 5386.24 400.01 o -9 14 3 1130.47 1263.13 99.98 o -8 14 3 176.20 247.22 40.16 o -7 14 3 8344.75 8533.48 210.38 o -6 14 3 1209.53 1376.18 92.10 o -5 14 3 212.02 277.84 44.66 o -4 14 3 2708.03 2529.29 228.30 o -3 14 3 102.83 178.73 89.18 o 0 0 4 32697.68 34211.54 408.81 o -1 1 4 40822.30 39634.05 267.96 o 0 1 4 15409.71 15627.63 140.09 o -2 2 4 3825.99 4395.84 62.30 o -1 2 4 7199.90 7094.16 62.82 o 0 2 4 10735.57 10615.55 109.15 o -3 3 4 90.95 178.92 18.16 o -2 3 4 449.22 443.68 19.00 o -1 3 4 258.88 404.15 16.54 o 0 3 4 4708.25 4549.97 72.08 o -4 4 4 40312.32 40639.07 323.20 o -3 4 4 1404.03 1529.90 38.33 o -2 4 4 35.38 62.32 12.06 o -1 4 4 10123.27 10215.61 87.85 o 0 4 4 5535.16 5547.48 88.05 o -5 5 4 12255.05 13083.48 177.45 o -4 5 4 25083.01 25242.20 168.18 o -3 5 4 1421.75 1605.05 49.65 o -2 5 4 565.75 554.24 27.73 o -1 5 4 20180.30 20303.22 152.57 o 0 5 4 143450.45 143168.64 921.88 o -6 6 4 56807.04 58213.96 513.06 o -5 6 4 86571.62 86338.28 447.10 o -4 6 4 63.90 157.88 20.58 o -3 6 4 443.88 418.60 28.53 o -2 6 4 14468.13 14391.19 141.13 o -1 6 4 21277.57 20928.03 176.83 o 0 6 4 50076.15 50725.99 469.88 o -7 7 4 27442.13 27363.88 358.31 o -6 7 4 8595.39 8266.88 120.70 o -5 7 4 44.11 122.75 22.07 o -4 7 4 936.69 980.79 45.37 o -3 7 4 127.01 143.16 21.89 o -2 7 4 5293.19 5417.37 89.65 o -1 7 4 38267.17 37784.72 285.82 o 0 7 4 1179.99 1400.84 84.63 o -8 8 4 517.94 555.97 62.75 o -7 8 4 3841.64 3759.56 95.26 o -6 8 4 2880.53 2886.29 77.37 o -5 8 4 248.83 288.01 31.37 o -4 8 4 715.37 685.29 43.28 o -3 8 4 7994.25 7508.19 122.00 o -2 8 4 6.69 47.93 19.56 o -1 8 4 221.75 222.49 27.69 o 0 8 4 9671.95 9085.84 200.09 o -9 9 4 2047.38 1934.42 116.24 o -8 9 4 483.34 522.01 44.08 o -7 9 4 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