data_2019641 _cell_angle_alpha 90.000 _cell_angle_beta 107.133 _cell_angle_gamma 90.000 _cell_length_a 10.2215 _cell_length_b 9.1814 _cell_length_c 5.5931 _exptl_crystal_F_000 688.00 _reflns_d_resolution_high 0.7138 _cod_data_source_file eg3165NInGsup5.hkl _cod_data_source_block NInG #BEGIN Tags that were not found in dictionaries: _shelx_title ' NaInGe2O6 xx 2/ 2014 Flux' _shelx_refln_list_code 4 _shelx_f_calc_maximum 384.69 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -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 68.28 51.11 4.13 o 4 0 0 27808.76 25520.94 343.89 o 6 0 0 28031.68 27879.21 406.52 o 8 0 0 9519.46 9479.33 147.69 o 10 0 0 33611.49 33845.11 771.66 o 12 0 0 846.84 862.52 47.77 o 1 1 0 7593.64 7288.39 174.80 o 3 1 0 69824.81 70057.15 1158.89 o 5 1 0 4389.32 4463.03 50.36 o 7 1 0 38074.44 37854.84 367.00 o 9 1 0 151.76 174.11 27.15 o 11 1 0 10058.09 10178.00 181.99 o 13 1 0 2867.99 2762.34 70.02 o 0 2 0 22207.63 22289.28 371.22 o 2 2 0 2570.67 2519.89 37.77 o 4 2 0 1735.68 1667.80 33.82 o 6 2 0 116.93 127.45 6.58 o 8 2 0 4.99 9.66 3.73 o 10 2 0 4154.35 4207.38 85.84 o 12 2 0 797.49 792.17 33.69 o 1 3 0 2289.68 2423.04 33.23 o 3 3 0 8.28 15.60 2.92 o 5 3 0 103.87 83.48 5.17 o 7 3 0 4112.18 4149.98 49.30 o 9 3 0 2.05 34.80 15.28 o 11 3 0 109.20 110.06 15.99 o 0 4 0 34635.32 33646.15 486.31 o 2 4 0 432.54 461.01 9.77 o 4 4 0 38271.96 39043.19 470.73 o 6 4 0 2830.59 2883.74 39.98 o 8 4 0 471.33 468.01 14.68 o 10 4 0 21890.00 21898.83 397.30 o 12 4 0 20.09 6.90 13.53 o 1 5 0 21871.47 21907.20 242.83 o 3 5 0 56051.69 54428.75 802.21 o 5 5 0 1052.53 1038.52 23.58 o 7 5 0 60058.44 61316.16 1111.92 o 9 5 0 918.36 926.62 25.34 o 11 5 0 10039.62 9934.80 199.31 o 0 6 0 76014.42 75861.41 1091.93 o 2 6 0 2098.59 2065.89 30.08 o 4 6 0 15699.93 15935.16 178.80 o 6 6 0 3853.49 3914.87 56.74 o 8 6 0 571.77 579.29 23.23 o 10 6 0 19813.38 20125.09 314.23 o 1 7 0 580.90 549.84 14.98 o 3 7 0 2673.44 2705.74 38.77 o 5 7 0 6814.56 6819.02 100.89 o 7 7 0 11492.99 11752.35 189.96 o 9 7 0 457.13 467.62 23.44 o 11 7 0 407.85 422.30 34.30 o 0 8 0 212.09 211.87 18.69 o 2 8 0 752.44 785.50 18.72 o 4 8 0 4.40 17.01 7.41 o 6 8 0 949.43 951.96 30.38 o 8 8 0 976.70 985.80 32.93 o 10 8 0 120.76 150.74 16.54 o 1 9 0 3627.42 3676.17 60.51 o 3 9 0 10013.26 10035.58 155.88 o 5 9 0 720.14 682.63 23.96 o 7 9 0 9644.01 9924.36 167.93 o 9 9 0 595.89 559.45 27.62 o 0 10 0 32335.04 32427.56 1434.37 o 2 10 0 303.78 316.80 19.47 o 4 10 0 16356.50 16365.52 245.07 o 6 10 0 4983.31 5083.69 121.17 o 8 10 0 1636.45 1605.15 64.28 o 1 11 0 837.00 902.33 48.64 o 3 11 0 14291.86 14526.33 254.03 o 5 11 0 1518.31 1507.42 61.03 o 0 12 0 10590.98 10886.48 246.69 o 2 12 0 2137.12 2277.23 115.08 o -13 1 1 1416.65 1455.75 46.73 o -11 1 1 423.01 438.44 22.92 o -9 1 1 6239.56 6344.06 99.87 o -7 1 1 418.23 411.79 11.43 o -5 1 1 29033.33 28929.04 297.26 o -3 1 1 1882.51 1994.89 33.41 o -1 1 1 13193.98 12883.00 303.75 o 1 1 1 12351.26 12194.58 202.51 o 3 1 1 1857.97 1826.99 28.48 o 5 1 1 19598.52 19251.42 188.67 o 7 1 1 67.51 72.71 6.62 o 9 1 1 7301.56 7429.54 105.07 o 11 1 1 17.38 18.56 8.33 o -12 2 1 31485.69 32144.44 544.51 o -10 2 1 90.68 137.77 10.62 o -8 2 1 23335.96 23565.87 253.87 o -6 2 1 18378.68 18450.71 200.02 o -4 2 1 11302.33 11584.92 122.67 o -2 2 1 122101.16 125118.30 1924.04 o 0 2 1 2336.75 2401.65 32.39 o 2 2 1 100149.34 97769.81 1543.21 o 4 2 1 4240.44 4260.54 48.29 o 6 2 1 21498.29 21140.37 253.45 o 8 2 1 23447.61 23969.21 335.18 o 10 2 1 116.80 121.86 11.51 o 12 2 1 21015.54 21140.55 403.74 o -13 3 1 2001.95 1980.37 81.39 o -11 3 1 4253.26 4255.17 105.13 o -9 3 1 34353.12 34197.39 471.67 o -7 3 1 4453.99 4432.54 53.48 o -5 3 1 89122.34 89275.53 1197.03 o -3 3 1 9585.46 10029.69 114.30 o -1 3 1 48592.50 47920.66 579.10 o 1 3 1 12552.01 11202.43 132.91 o 3 3 1 1024.45 1093.32 15.95 o 5 3 1 107639.30 103475.45 1055.05 o 7 3 1 1234.97 1207.65 22.21 o 9 3 1 22666.56 23174.86 359.17 o 11 3 1 1963.09 1965.85 51.77 o -12 4 1 13686.30 14177.20 354.26 o -10 4 1 1219.98 1227.20 25.06 o -8 4 1 5067.64 5135.57 66.54 o -6 4 1 1727.40 1750.90 29.09 o -4 4 1 620.14 648.87 12.03 o -2 4 1 33012.77 33096.68 339.35 o 0 4 1 16198.35 16019.38 175.17 o 2 4 1 26564.82 26140.73 282.93 o 4 4 1 11.02 20.80 3.32 o 6 4 1 3161.05 3184.15 44.08 o 8 4 1 6142.46 6070.13 107.05 o 10 4 1 1152.99 1146.45 35.41 o 12 4 1 8220.14 7969.95 199.04 o -11 5 1 102.51 96.60 14.60 o -9 5 1 207.96 197.17 14.88 o -7 5 1 856.02 905.52 29.84 o -5 5 1 1816.79 1739.80 26.95 o -3 5 1 1609.86 1540.82 30.91 o -1 5 1 985.90 989.60 16.23 o 1 5 1 102.17 106.38 5.88 o 3 5 1 2888.18 2956.35 39.90 o 5 5 1 2383.34 2413.89 39.01 o 7 5 1 261.87 278.64 14.91 o 9 5 1 116.13 123.63 16.93 o 11 5 1 335.27 330.35 22.45 o -10 6 1 566.52 572.95 24.03 o -8 6 1 4310.97 4351.85 70.51 o -6 6 1 987.70 999.54 24.30 o -4 6 1 657.14 647.70 18.72 o -2 6 1 12217.98 11881.41 134.07 o 0 6 1 0.79 -0.86 4.05 o 2 6 1 5284.06 5273.49 65.24 o 4 6 1 1309.38 1371.56 23.94 o 6 6 1 2751.40 2761.40 50.03 o 8 6 1 1763.95 1667.04 37.39 o 10 6 1 283.77 288.04 24.10 o -11 7 1 2488.99 2447.99 58.53 o -9 7 1 12724.90 13280.45 214.76 o -7 7 1 234.15 247.60 14.39 o -5 7 1 46663.21 46953.69 1007.50 o -3 7 1 435.26 462.27 15.44 o -1 7 1 18804.23 18687.03 224.59 o 1 7 1 24697.96 24939.80 274.34 o 3 7 1 1316.53 1330.08 24.00 o 5 7 1 29043.14 29795.67 396.59 o 7 7 1 363.01 400.30 17.56 o 9 7 1 17864.43 17906.60 283.81 o -10 8 1 118.87 129.10 14.74 o -8 8 1 14326.46 14413.59 231.35 o -6 8 1 6313.23 6355.32 97.82 o -4 8 1 1344.24 1354.68 33.24 o -2 8 1 47611.74 46183.01 683.51 o 0 8 1 1099.08 1077.96 25.11 o 2 8 1 33527.97 34423.14 406.91 o 4 8 1 789.70 753.22 20.21 o 6 8 1 11535.61 11733.54 191.56 o 8 8 1 11501.31 11304.63 166.37 o -9 9 1 5350.24 5436.29 116.44 o -7 9 1 4674.30 4515.35 82.57 o -5 9 1 20369.30 20357.48 297.29 o -3 9 1 318.87 347.14 25.87 o -1 9 1 2711.46 2686.18 48.13 o 1 9 1 1684.15 1677.06 34.65 o 3 9 1 519.94 539.07 18.42 o 5 9 1 17225.31 17788.82 280.04 o 7 9 1 2633.15 2648.44 61.53 o -8 10 1 416.29 385.70 38.28 o -6 10 1 376.82 412.98 33.41 o -4 10 1 215.58 234.34 16.77 o -2 10 1 4867.54 4721.58 84.38 o 0 10 1 5326.39 5481.93 85.34 o 2 10 1 769.39 745.60 26.31 o 4 10 1 104.58 109.17 19.63 o 6 10 1 224.08 222.45 26.74 o -5 11 1 487.72 482.53 26.08 o -3 11 1 1878.64 1811.77 44.92 o -1 11 1 1989.27 1952.21 64.39 o 1 11 1 817.61 848.69 29.72 o 3 11 1 1394.87 1384.50 58.31 o 5 11 1 1673.67 1856.14 71.68 o -4 12 1 2756.97 2691.34 111.45 o -2 12 1 10657.11 10430.00 192.95 o 0 12 1 392.80 377.50 26.84 o 2 12 1 13079.48 12584.45 414.98 o -12 0 2 371.93 343.01 26.96 o -10 0 2 40238.37 42489.77 663.26 o -8 0 2 1790.29 1734.03 44.11 o -6 0 2 35261.54 34933.94 649.51 o -4 0 2 71344.26 72844.71 1061.57 o -2 0 2 2763.03 3074.89 57.39 o 0 0 2 147986.45 153498.66 2640.94 o 2 0 2 4623.54 4735.95 85.77 o 4 0 2 64437.39 63317.92 2887.21 o 6 0 2 5565.08 5485.03 109.33 o 8 0 2 2203.68 2156.81 47.76 o 10 0 2 34031.98 33622.04 915.06 o -13 1 2 6275.80 6097.95 127.61 o -11 1 2 3558.87 3640.89 59.97 o -9 1 2 33.82 33.64 5.37 o -7 1 2 67391.69 67641.87 1078.34 o -5 1 2 2020.03 1955.64 25.86 o -3 1 2 25344.04 23891.83 263.69 o -1 1 2 3770.44 3769.15 43.55 o 1 1 2 20291.60 20749.13 212.47 o 3 1 2 36402.33 35856.50 419.06 o 5 1 2 3878.85 3753.72 60.73 o 7 1 2 34318.78 34232.05 388.27 o 9 1 2 31.38 43.12 10.11 o 11 1 2 6512.18 6430.33 123.15 o -14 2 2 993.06 1019.88 76.82 o -12 2 2 1225.00 1247.10 38.47 o -10 2 2 7109.86 7307.26 121.47 o -8 2 2 74.82 85.97 6.58 o -6 2 2 104.72 122.04 12.63 o -4 2 2 6268.86 6537.63 72.85 o -2 2 2 187.81 130.80 6.07 o 0 2 2 2131.60 1823.51 22.74 o 2 2 2 2869.32 2755.18 42.03 o 4 2 2 11295.26 11003.87 119.45 o 6 2 2 0.87 7.82 4.16 o 8 2 2 1094.76 1052.65 26.89 o 10 2 2 4254.43 4192.38 75.18 o -13 3 2 226.83 247.56 26.09 o -11 3 2 1225.82 1213.22 36.61 o -9 3 2 66.32 61.83 7.69 o -7 3 2 429.13 409.97 12.75 o -5 3 2 25.93 11.56 5.30 o -3 3 2 4385.46 4593.45 55.36 o -1 3 2 47.81 49.84 3.44 o 1 3 2 11.77 23.61 3.06 o 3 3 2 2744.91 2694.88 37.03 o 5 3 2 29.35 36.23 5.34 o 7 3 2 526.79 547.08 20.58 o 9 3 2 20.37 26.53 8.50 o 11 3 2 837.87 788.35 32.38 o -12 4 2 308.15 317.00 18.25 o -10 4 2 15572.25 15708.12 225.09 o -8 4 2 2743.04 2747.81 44.63 o -6 4 2 8287.29 8474.51 111.24 o -4 4 2 14525.88 14574.78 180.90 o -2 4 2 136.06 146.57 5.93 o 0 4 2 52986.07 53178.43 870.93 o 2 4 2 77.88 81.76 5.51 o 4 4 2 20053.56 19800.75 240.26 o 6 4 2 4814.38 4668.75 74.85 o 8 4 2 1001.66 965.58 30.29 o 10 4 2 10563.81 10548.72 179.33 o -11 5 2 9900.05 9880.86 165.91 o -9 5 2 1048.20 1039.33 22.30 o -7 5 2 52624.99 54349.47 598.44 o -5 5 2 205.03 194.67 8.87 o -3 5 2 68134.70 70274.70 1100.68 o -1 5 2 5651.82 5571.74 66.55 o 1 5 2 10911.38 10952.39 116.15 o 3 5 2 62438.96 61195.58 660.38 o 5 5 2 50.75 48.07 7.00 o 7 5 2 31106.79 30874.70 470.82 o 9 5 2 158.90 148.40 14.96 o -12 6 2 1224.92 1209.82 47.32 o -10 6 2 13325.84 13540.49 217.66 o -8 6 2 340.17 383.72 18.83 o -6 6 2 13766.80 13671.84 173.89 o -4 6 2 12319.76 12465.19 158.48 o -2 6 2 7784.62 7676.97 98.41 o 0 6 2 64935.21 66266.71 811.01 o 2 6 2 198.45 217.63 9.72 o 4 6 2 13461.37 13543.57 157.39 o 6 6 2 1419.02 1425.70 44.94 o 8 6 2 839.71 838.91 29.57 o 10 6 2 13896.89 13321.60 339.85 o -11 7 2 550.15 593.26 32.55 o -9 7 2 801.98 814.18 24.89 o -7 7 2 8785.05 8642.41 138.89 o -5 7 2 2843.78 2754.85 48.13 o -3 7 2 5132.49 5139.26 77.96 o -1 7 2 840.84 814.82 19.11 o 1 7 2 173.02 193.96 11.67 o 3 7 2 7716.58 7775.12 115.13 o 5 7 2 3954.19 4006.81 57.54 o 7 7 2 4158.42 4093.43 81.42 o 9 7 2 554.60 507.46 25.50 o -10 8 2 45.17 94.39 35.84 o -8 8 2 241.49 240.30 18.55 o -6 8 2 234.23 225.34 16.10 o -4 8 2 438.08 456.27 18.70 o -2 8 2 1030.97 1014.08 24.79 o 0 8 2 16.24 27.89 6.21 o 2 8 2 1039.97 1069.47 27.87 o 4 8 2 46.62 41.81 7.38 o 6 8 2 287.96 300.08 20.45 o 8 8 2 804.54 785.08 36.71 o -9 9 2 509.22 478.85 28.70 o -7 9 2 10825.93 10662.11 168.22 o -5 9 2 830.94 820.50 26.85 o -3 9 2 7815.06 7647.80 123.46 o -1 9 2 2985.33 2982.67 52.85 o 1 9 2 5237.64 5354.95 77.48 o 3 9 2 6983.57 7239.95 135.62 o 5 9 2 273.07 292.26 24.14 o 7 9 2 9650.11 9733.09 198.26 o -8 10 2 1555.35 1589.31 61.15 o -6 10 2 5176.36 5245.25 215.84 o -4 10 2 14756.40 14368.96 218.47 o -2 10 2 601.27 573.06 22.82 o 0 10 2 25842.01 26035.07 336.74 o 2 10 2 107.88 99.46 13.85 o 4 10 2 17814.58 17605.12 247.70 o 6 10 2 3979.03 4059.03 126.05 o -5 11 2 1380.92 1321.52 38.12 o -3 11 2 12219.42 12031.63 188.68 o -1 11 2 440.90 437.69 22.45 o 1 11 2 1270.11 1281.94 38.68 o 3 11 2 11741.75 12415.48 282.60 o -2 12 2 3176.90 3141.00 92.25 o 0 12 2 6975.18 7167.61 257.70 o 2 12 2 969.90 913.30 86.64 o -13 1 3 863.69 887.97 32.08 o -11 1 3 1706.73 1707.29 38.78 o -9 1 3 5604.19 5831.33 185.17 o -7 1 3 1133.93 1124.91 27.03 o -5 1 3 25445.35 25699.78 277.15 o -3 1 3 766.53 766.89 12.37 o -1 1 3 5822.58 5832.07 64.00 o 1 1 3 7736.96 7650.75 86.61 o 3 1 3 47.53 48.61 5.84 o 5 1 3 8254.33 8322.47 112.66 o 7 1 3 213.19 212.64 11.66 o 9 1 3 8284.31 8340.75 116.81 o -12 2 3 27087.48 27597.17 359.31 o -10 2 3 96.38 116.74 9.94 o -8 2 3 28780.47 29274.55 371.13 o -6 2 3 7223.64 7315.03 95.58 o -4 2 3 4071.62 4052.83 50.69 o -2 2 3 88398.68 88911.42 1772.26 o 0 2 3 68.39 54.53 4.25 o 2 2 3 57255.10 58105.34 730.66 o 4 2 3 410.03 448.24 17.38 o 6 2 3 14876.76 15119.89 191.26 o 8 2 3 16520.93 16533.94 231.74 o 10 2 3 34.70 44.50 11.36 o -13 3 3 1020.54 1010.16 33.59 o -11 3 3 4662.36 4659.95 75.48 o -9 3 3 34481.73 35412.18 449.92 o -7 3 3 1773.60 1720.31 31.63 o -5 3 3 55553.02 57444.22 686.08 o -3 3 3 822.76 818.86 15.11 o -1 3 3 52151.77 52554.98 534.87 o 1 3 3 16213.84 15951.21 157.93 o 3 3 3 19.87 30.50 4.56 o 5 3 3 50762.30 50335.03 660.29 o 7 3 3 163.10 189.34 23.81 o 9 3 3 21290.90 21082.15 333.57 o -12 4 3 9889.73 9879.30 145.83 o -10 4 3 389.84 391.87 16.66 o -8 4 3 10590.73 10448.43 129.93 o -6 4 3 34.81 98.63 13.94 o -4 4 3 174.79 189.39 16.09 o -2 4 3 33643.75 33289.13 367.11 o 0 4 3 3678.38 3603.23 46.16 o 2 4 3 12785.52 12621.61 159.73 o 4 4 3 668.07 678.56 20.27 o 6 4 3 4063.80 4011.11 68.74 o 8 4 3 4552.29 4465.51 88.18 o -11 5 3 84.69 81.94 10.23 o -9 5 3 12.54 24.94 5.63 o -7 5 3 1575.19 1552.46 28.51 o -5 5 3 3485.99 3510.69 52.90 o -3 5 3 1522.28 1489.23 23.96 o -1 5 3 2.07 28.40 8.09 o 1 5 3 752.02 770.92 34.70 o 3 5 3 461.21 457.38 16.74 o 5 5 3 117.70 134.38 11.43 o 7 5 3 483.37 498.61 29.83 o 9 5 3 1169.89 1104.02 37.03 o -12 6 3 3581.64 3199.28 76.62 o -10 6 3 172.43 172.44 14.26 o -8 6 3 2992.64 2874.22 42.48 o -6 6 3 2061.89 1989.62 32.94 o -4 6 3 1122.83 1095.43 25.08 o -2 6 3 5292.20 5316.85 72.35 o 0 6 3 19.67 20.36 4.82 o 2 6 3 6705.86 6813.72 102.53 o 4 6 3 515.41 511.41 17.58 o 6 6 3 1409.08 1374.69 34.61 o 8 6 3 1762.42 1699.69 47.03 o -11 7 3 3323.95 3090.04 63.00 o -9 7 3 15126.89 15708.08 236.41 o -7 7 3 61.68 81.79 14.05 o -5 7 3 31521.32 32117.06 419.69 o -3 7 3 753.15 753.49 20.79 o -1 7 3 19551.59 19634.06 237.87 o 1 7 3 12735.14 12857.51 180.43 o 3 7 3 965.29 964.64 26.68 o 5 7 3 22103.71 22301.25 344.80 o 7 7 3 221.98 253.12 20.04 o -10 8 3 56.88 75.32 11.97 o -8 8 3 11823.65 11829.91 270.22 o -6 8 3 5022.20 4921.62 87.22 o -4 8 3 2103.40 2023.72 40.25 o -2 8 3 29151.95 28988.43 381.22 o 0 8 3 465.92 492.54 17.44 o 2 8 3 34559.79 35676.98 472.51 o 4 8 3 23.27 33.26 8.65 o 6 8 3 5646.03 5607.29 125.21 o -9 9 3 9811.72 9742.03 280.93 o -7 9 3 2808.23 2831.93 60.34 o -5 9 3 8535.91 8740.49 141.16 o -3 9 3 527.84 605.86 37.21 o -1 9 3 9317.31 9307.62 135.78 o 1 9 3 884.36 863.85 24.77 o 3 9 3 1895.64 1923.17 53.31 o 5 9 3 13657.40 13735.41 266.37 o -6 10 3 226.98 254.57 18.76 o -4 10 3 379.56 378.09 21.57 o -2 10 3 2464.61 2447.41 74.30 o 0 10 3 2305.44 2243.14 60.88 o 2 10 3 1395.26 1375.98 34.10 o 4 10 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