#------------------------------------------------------------------------------ #$Date: 2016-04-06 16:33:17 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181867 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/97/2019770.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2019770 _cell_angle_alpha 90.000 _cell_angle_beta 90.817 _cell_angle_gamma 90.000 _cell_length_a 13.9380 _cell_length_b 7.9410 _cell_length_c 5.0560 _exptl_crystal_F_000 724.00 _reflns_d_resolution_high 0.7150 _cod_data_source_file fp3002Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Nadeln aus SInter CaCu95Zn05Ge2O6//' _shelx_refln_list_code 4 _shelx_f_calc_maximum 256.62 _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' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' 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 -11 0 1002.76 883.50 90.11 o 0 -10 0 7183.63 6677.45 376.97 o 2 -10 0 578.58 525.97 52.91 o 4 -10 0 1520.16 1472.54 83.97 o 6 -10 0 1811.56 1850.45 144.99 o 1 -9 0 1110.31 1005.06 69.70 o 3 -9 0 2687.62 2448.38 155.08 o 5 -9 0 93.96 146.11 30.55 o 7 -9 0 721.40 822.42 102.73 o 9 -9 0 9869.29 10634.78 579.67 o 0 -8 0 10087.87 9896.00 500.38 o 2 -8 0 220.92 202.46 33.74 o 4 -8 0 5962.66 5301.30 214.22 o 6 -8 0 5610.79 5391.87 209.87 o 8 -8 0 1008.60 1071.32 114.82 o 10 -8 0 1022.49 1057.15 120.05 o 12 -8 0 1661.34 1705.27 158.20 o 1 -7 0 142.17 130.92 19.51 o 3 -7 0 10059.00 9983.47 270.94 o 5 -7 0 6166.86 5921.02 225.87 o 7 -7 0 430.76 445.48 32.29 o 9 -7 0 4032.94 4259.36 283.83 o 11 -7 0 833.37 908.93 71.41 o 0 -6 0 19590.14 19015.68 710.60 o 2 -6 0 1337.59 1291.62 48.03 o 4 -6 0 3049.42 3087.62 133.29 o 6 -6 0 4418.71 4376.94 145.31 o 8 -6 0 6411.98 6706.74 189.71 o 10 -6 0 4367.50 4132.97 173.93 o 12 -6 0 3565.24 3612.38 173.49 o 14 -6 0 728.91 709.09 55.77 o 16 -6 0 1697.14 1524.07 100.68 o 3 -5 0 38861.48 36980.80 1298.83 o 5 -5 0 7746.85 7555.10 203.51 o 7 -5 0 3873.44 4110.55 122.14 o 9 -5 0 9030.90 9630.64 259.75 o 11 -5 0 836.07 810.30 41.76 o 13 -5 0 1464.17 1428.37 87.37 o 15 -5 0 7000.85 6768.08 303.26 o 17 -5 0 1160.88 1115.20 103.01 o 0 -4 0 15529.18 14180.00 715.18 o 2 -4 0 3481.59 3464.99 204.63 o 4 -4 0 8501.45 8124.25 217.34 o 6 -4 0 34362.91 36332.10 935.45 o 8 -4 0 2147.98 2201.15 70.24 o 10 -4 0 387.83 370.89 31.27 o 12 -4 0 13996.77 13929.35 450.33 o 14 -4 0 1179.77 1109.89 75.71 o 16 -4 0 1213.78 1180.66 89.43 o 1 -3 0 19901.55 17254.45 618.74 o 3 -3 0 26283.04 25325.32 653.05 o 5 -3 0 5683.64 5732.58 156.17 o 7 -3 0 4063.05 4195.98 143.22 o 9 -3 0 20800.51 20361.81 631.40 o 11 -3 0 113.73 159.79 22.95 o 13 -3 0 287.47 393.19 39.57 o 15 -3 0 3333.46 3208.92 195.38 o 17 -3 0 1820.73 1740.81 109.41 o 0 -2 0 14100.83 12941.09 672.06 o 2 -2 0 475.72 601.66 30.42 o 4 -2 0 18043.69 18129.91 477.26 o 6 -2 0 12333.30 12066.23 329.67 o 8 -2 0 3803.84 3689.94 148.74 o 10 -2 0 2300.83 2188.62 72.41 o 12 -2 0 11278.68 10653.03 427.35 o 14 -2 0 3724.60 3667.61 198.09 o 16 -2 0 671.31 807.45 86.38 o 18 -2 0 2205.72 2030.35 121.94 o 1 -1 0 2894.08 2434.31 77.26 o 3 -1 0 13569.49 13450.10 346.75 o 5 -1 0 16660.73 17140.84 540.82 o 7 -1 0 5333.84 5456.93 170.52 o 9 -1 0 36571.92 36031.52 993.47 o 11 -1 0 5269.04 4864.41 204.15 o 13 -1 0 6075.53 6171.72 190.80 o 15 -1 0 6007.22 5657.30 181.19 o 17 -1 0 1135.28 1141.68 83.44 o 2 0 0 2515.06 2544.19 107.13 o 4 0 0 634.85 787.27 33.40 o 6 0 0 31445.04 30358.28 744.08 o 8 0 0 8506.77 8303.07 270.44 o 10 0 0 5525.29 6079.99 207.79 o 12 0 0 3633.06 3724.83 138.91 o 14 0 0 833.18 785.98 44.95 o 16 0 0 1918.70 1885.64 77.39 o 18 0 0 9193.61 9732.87 440.68 o 1 1 0 2908.76 2637.47 110.21 o 3 1 0 13139.03 13428.67 565.50 o 5 1 0 17179.54 18431.76 493.20 o 7 1 0 5050.74 5189.32 165.29 o 9 1 0 37136.17 37595.79 1008.86 o 11 1 0 5471.19 5177.50 176.44 o 13 1 0 6377.85 6585.66 223.87 o 15 1 0 6587.35 6357.61 340.12 o 17 1 0 1032.99 1101.40 77.12 o 19 1 0 713.35 545.83 76.96 o 0 2 0 14536.72 14320.86 789.29 o 2 2 0 464.00 579.12 44.69 o 4 2 0 18510.81 19005.29 627.85 o 6 2 0 12850.00 13351.58 412.40 o 8 2 0 4372.41 4256.90 167.48 o 10 2 0 2010.49 2001.83 107.16 o 12 2 0 10878.40 10674.35 434.95 o 14 2 0 3682.43 3927.82 181.61 o 16 2 0 775.42 663.31 88.08 o 18 2 0 2339.03 2206.57 102.13 o 1 3 0 19275.19 18112.75 603.05 o 3 3 0 26229.14 25684.91 1066.24 o 5 3 0 5594.97 5763.93 208.40 o 7 3 0 4563.60 4567.57 266.90 o 9 3 0 20654.99 20963.06 671.70 o 11 3 0 139.29 185.61 96.46 o 13 3 0 248.10 530.00 96.34 o 15 3 0 3144.39 3206.64 286.01 o 17 3 0 1935.20 1932.46 158.86 o 0 4 0 15125.57 14494.45 844.42 o 2 4 0 3618.81 4114.86 221.69 o 4 4 0 8450.59 8197.53 363.34 o 6 4 0 34891.25 36608.50 1229.40 o 8 4 0 1853.72 1899.32 122.39 o 10 4 0 445.48 466.88 52.55 o 12 4 0 14218.93 14865.22 581.46 o 14 4 0 999.69 1001.48 104.79 o 16 4 0 1093.27 1068.40 91.16 o 3 5 0 38287.32 37701.55 1284.69 o 5 5 0 7693.72 7498.15 1038.05 o 7 5 0 4045.18 4247.16 281.25 o 9 5 0 8801.60 9081.79 561.06 o 11 5 0 779.43 769.10 58.26 o 13 5 0 1222.31 1172.67 93.57 o 15 5 0 6729.29 7080.44 314.75 o 0 6 0 19784.10 19725.14 1140.83 o 2 6 0 1555.53 1444.56 88.76 o 4 6 0 2897.31 3426.63 166.23 o 6 6 0 4428.45 4015.80 280.65 o 8 6 0 6725.52 6536.15 445.59 o 10 6 0 4290.32 3874.96 336.98 o 12 6 0 3437.21 3600.92 184.07 o 14 6 0 662.99 687.13 83.28 o 1 7 0 129.54 138.63 37.05 o 3 7 0 10354.07 9976.09 492.45 o 5 7 0 5934.57 5655.32 223.86 o 7 7 0 404.27 466.33 82.39 o 9 7 0 4388.30 4569.83 476.48 o 11 7 0 948.83 1079.08 73.17 o 13 7 0 1869.80 2002.87 130.70 o 0 8 0 9850.35 8908.70 594.21 o 2 8 0 250.64 247.67 48.70 o 4 8 0 5906.66 5397.80 260.09 o 6 8 0 5171.27 4426.51 361.71 o 8 8 0 1016.99 1170.72 152.61 o 10 8 0 970.36 997.22 92.30 o 12 8 0 1811.76 1898.15 125.35 o 1 9 0 1299.67 1220.49 92.03 o 3 9 0 2803.58 2543.82 147.62 o 5 9 0 53.36 52.02 25.92 o 7 9 0 812.44 779.64 118.83 o 9 9 0 9864.61 10176.20 688.15 o 11 9 0 158.13 211.46 72.58 o 0 10 0 7391.02 6658.06 453.83 o 2 10 0 661.23 497.13 59.99 o 4 10 0 1428.12 1288.69 100.90 o 6 10 0 1701.38 1765.46 188.00 o -8 -10 1 101.08 142.70 28.57 o -6 -10 1 537.46 599.21 58.03 o -4 -10 1 5045.34 4837.44 203.33 o -2 -10 1 1226.00 1181.15 73.31 o 0 -10 1 359.40 386.57 66.31 o 2 -10 1 1626.72 1362.56 115.09 o 4 -10 1 5287.66 5152.91 305.82 o -9 -9 1 2312.07 2085.61 112.10 o -7 -9 1 412.25 390.97 63.29 o -5 -9 1 2456.59 2453.01 121.60 o -3 -9 1 513.57 506.86 48.88 o -1 -9 1 29.95 46.13 29.68 o 1 -9 1 35.44 52.47 24.19 o 3 -9 1 851.38 807.74 108.62 o 5 -9 1 5125.44 5029.69 286.37 o 7 -9 1 210.00 248.44 60.59 o 9 -9 1 2106.76 2396.54 175.35 o -10 -8 1 180.93 213.28 31.84 o -8 -8 1 82.14 99.97 23.78 o -6 -8 1 2185.42 2150.89 91.73 o -4 -8 1 1905.60 1945.51 80.79 o -2 -8 1 1019.45 1015.38 74.54 o 0 -8 1 10652.37 9718.08 308.53 o 2 -8 1 1027.14 963.54 79.36 o 4 -8 1 3791.60 3829.83 163.54 o 6 -8 1 586.71 586.90 71.10 o 8 -8 1 86.53 82.24 31.41 o 10 -8 1 238.79 259.50 46.61 o 12 -8 1 1140.51 896.60 112.72 o -13 -7 1 5113.12 5298.78 353.18 o -11 -7 1 3686.02 3736.37 167.09 o -9 -7 1 1432.49 1476.23 73.92 o -7 -7 1 6284.04 6494.57 212.78 o -5 -7 1 7421.27 7564.43 246.88 o -3 -7 1 3803.22 3600.88 119.76 o -1 -7 1 2851.43 2592.08 96.79 o 1 -7 1 4936.69 4428.74 157.18 o 3 -7 1 2682.91 2663.84 140.74 o 5 -7 1 7462.90 7988.40 307.95 o 7 -7 1 6585.97 6850.53 532.71 o 9 -7 1 472.77 646.41 59.94 o 11 -7 1 5324.93 6055.63 262.92 o 13 -7 1 5569.55 6669.47 642.57 o -14 -6 1 518.14 460.97 76.86 o -12 -6 1 913.09 943.70 139.36 o -10 -6 1 1431.46 1476.05 91.46 o -8 -6 1 10627.58 10962.33 339.50 o -6 -6 1 623.87 647.84 43.18 o -4 -6 1 6271.19 6355.60 202.32 o -2 -6 1 10783.49 9932.00 298.14 o 0 -6 1 3447.93 3108.08 106.94 o 2 -6 1 4812.82 4442.94 173.59 o 4 -6 1 4440.71 4553.83 156.52 o 6 -6 1 2115.46 2114.72 101.59 o 8 -6 1 9598.15 10187.43 384.80 o 10 -6 1 3503.35 3818.10 217.17 o 12 -6 1 1025.38 1169.21 112.35 o 14 -6 1 1659.12 1910.06 160.74 o -17 -5 1 1591.74 1707.69 150.07 o -15 -5 1 410.82 424.09 37.71 o -13 -5 1 37.03 74.50 20.82 o -11 -5 1 412.79 515.92 40.31 o -9 -5 1 3067.52 3142.44 128.52 o -7 -5 1 9053.38 8942.81 242.52 o -5 -5 1 1220.27 1286.95 87.35 o -3 -5 1 13757.36 14180.94 372.61 o -1 -5 1 19631.23 19308.48 707.79 o 1 -5 1 19161.65 18639.25 887.37 o 3 -5 1 14335.63 14879.07 455.55 o 5 -5 1 2952.32 2961.14 124.21 o 7 -5 1 6722.24 6926.62 217.71 o 9 -5 1 3310.01 3516.21 152.23 o 11 -5 1 711.35 833.04 51.94 o 13 -5 1 71.27 115.99 34.29 o 15 -5 1 478.49 520.91 54.50 o -16 -4 1 2868.69 2840.92 117.87 o -14 -4 1 39.59 102.72 23.72 o -12 -4 1 12275.09 12346.94 383.14 o -10 -4 1 2035.16 1993.50 79.28 o -8 -4 1 11679.77 11362.09 366.07 o -6 -4 1 9306.36 9935.53 261.28 o -4 -4 1 858.67 1021.20 81.52 o -2 -4 1 3875.04 3809.54 110.00 o 0 -4 1 1442.29 1423.62 63.90 o 2 -4 1 4979.88 5463.92 277.87 o 4 -4 1 1476.22 1665.03 92.57 o 6 -4 1 10822.28 12471.23 602.76 o 8 -4 1 6333.48 6633.50 217.75 o 10 -4 1 3973.96 4353.06 297.54 o 12 -4 1 13043.83 13455.89 532.62 o 14 -4 1 149.38 174.70 37.89 o 16 -4 1 1679.65 1601.13 167.17 o -17 -3 1 5406.18 5256.69 191.52 o -15 -3 1 382.44 406.80 41.35 o -13 -3 1 1548.16 1442.51 68.44 o -11 -3 1 2838.55 2627.82 102.15 o -9 -3 1 2260.12 2122.46 83.57 o -7 -3 1 23455.95 22517.94 697.87 o -5 -3 1 4358.70 4390.64 118.64 o -3 -3 1 6552.27 6902.32 187.93 o -1 -3 1 6988.03 6275.45 219.80 o 1 -3 1 36082.60 37340.72 1209.47 o 3 -3 1 361.80 440.65 39.53 o 5 -3 1 5576.19 5397.12 178.94 o 7 -3 1 22467.02 22536.75 615.28 o 9 -3 1 2509.99 2716.65 117.13 o 11 -3 1 2335.53 2344.20 137.00 o 13 -3 1 1188.92 1178.36 198.85 o 15 -3 1 635.68 700.16 78.80 o 17 -3 1 5880.18 5889.07 271.14 o -18 -2 1 474.34 556.51 45.94 o -16 -2 1 5808.46 5509.79 199.73 o -14 -2 1 3502.67 3381.52 131.49 o -12 -2 1 4677.67 4403.84 158.27 o -10 -2 1 4987.43 4727.24 198.04 o -8 -2 1 19540.15 18680.48 691.89 o -6 -2 1 729.70 737.94 62.89 o -4 -2 1 8065.01 6994.28 236.62 o -2 -2 1 35545.03 34661.46 837.70 o 0 -2 1 25677.10 27176.10 1089.51 o 2 -2 1 46041.59 46581.76 2261.44 o 4 -2 1 41049.17 42660.52 1152.99 o 6 -2 1 1242.92 1226.80 41.01 o 8 -2 1 20884.01 20687.60 863.26 o 10 -2 1 9683.36 10395.31 319.76 o 12 -2 1 4464.56 4214.84 169.63 o 14 -2 1 1791.26 1726.41 88.06 o 16 -2 1 3577.06 3578.95 173.84 o 18 -2 1 222.48 241.25 62.33 o -19 -1 1 989.42 1124.35 103.67 o -17 -1 1 242.37 258.70 38.16 o -15 -1 1 1116.47 1123.38 60.78 o -13 -1 1 8718.23 8262.43 299.30 o -11 -1 1 7576.20 6792.34 439.48 o -9 -1 1 11457.18 11568.22 500.14 o -7 -1 1 3007.13 2836.60 318.47 o -5 -1 1 34269.47 32747.68 1088.23 o -3 -1 1 30314.54 29609.36 913.23 o -1 -1 1 2127.41 1893.07 65.51 o 1 -1 1 57.41 112.91 12.09 o 3 -1 1 27783.15 28333.63 993.67 o 5 -1 1 7104.71 6591.81 358.98 o 7 -1 1 4411.39 4721.38 140.54 o 9 -1 1 13152.65 14550.92 497.87 o 11 -1 1 9497.30 8772.11 420.71 o 13 -1 1 10886.55 10655.66 374.38 o 15 -1 1 2403.24 2276.22 154.57 o 17 -1 1 363.80 421.89 60.48 o -18 0 1 1689.45 1675.17 85.00 o -16 0 1 191.89 223.40 36.41 o -14 0 1 3763.88 4227.68 246.38 o -12 0 1 1486.42 1485.84 71.04 o -10 0 1 6303.70 5433.29 202.53 o -8 0 1 2418.26 2301.46 87.31 o -6 0 1 96.95 122.11 24.83 o -4 0 1 49541.50 42752.48 1159.45 o -2 0 1 89.32 81.59 9.62 o 0 0 1 25024.43 26324.93 1045.63 o 2 0 1 1750.49 1717.52 62.21 o 4 0 1 37760.91 41732.82 1386.51 o 6 0 1 7083.31 8357.38 285.30 o 8 0 1 1746.09 1744.11 63.45 o 10 0 1 2189.80 2014.77 87.71 o 12 0 1 228.50 341.07 49.25 o 14 0 1 6150.54 6243.48 318.99 o 16 0 1 85.11 99.36 35.50 o 18 0 1 2696.06 2441.64 144.83 o -17 1 1 266.07 303.11 38.27 o -15 1 1 1010.61 931.72 60.72 o -13 1 1 8292.95 8300.35 281.86 o -11 1 1 6949.42 6478.82 226.43 o -9 1 1 11443.35 11930.44 598.16 o -7 1 1 2731.21 2889.19 89.31 o -5 1 1 35078.86 37047.35 956.21 o -3 1 1 30424.53 30274.51 815.41 o -1 1 1 2130.06 2073.07 169.64 o 1 1 1 59.32 112.73 16.92 o 3 1 1 27960.26 32194.61 991.63 o 7 1 1 4149.99 4328.82 155.67 o 9 1 1 12770.71 13636.35 614.57 o 11 1 1 9621.49 9283.41 508.98 o 13 1 1 10759.80 10941.82 624.98 o 15 1 1 2413.32 2372.86 136.79 o 17 1 1 353.95 425.67 61.71 o -18 2 1 413.16 715.25 100.80 o -16 2 1 6129.13 5894.86 258.06 o -14 2 1 3701.07 3671.83 140.43 o -12 2 1 5009.79 4658.51 167.14 o -10 2 1 4839.81 4939.70 171.38 o -8 2 1 18777.11 18772.11 521.44 o -6 2 1 832.59 918.87 37.85 o -4 2 1 8871.05 8109.25 195.13 o -2 2 1 35633.21 36527.56 1468.46 o 0 2 1 25537.79 31123.82 2009.99 o 2 2 1 46063.89 48671.34 2414.76 o 4 2 1 41989.48 44560.00 1485.76 o 6 2 1 1415.86 1322.04 73.04 o 8 2 1 21136.43 22350.70 809.59 o 10 2 1 10459.50 11430.69 389.29 o 12 2 1 5065.99 5040.84 206.79 o 14 2 1 2077.32 2019.80 88.93 o 16 2 1 3300.56 3338.51 209.23 o 18 2 1 197.71 363.47 89.89 o -17 3 1 5324.65 5382.89 250.64 o -15 3 1 511.17 502.25 85.35 o -13 3 1 1473.78 1402.76 136.96 o -11 3 1 2800.38 2851.87 137.74 o -9 3 1 2232.12 2331.92 96.25 o -7 3 1 23913.98 23469.82 742.32 o -5 3 1 4026.42 4043.49 129.25 o -3 3 1 6495.57 7378.72 312.83 o -1 3 1 5972.33 5213.27 248.67 o 1 3 1 35358.96 38702.33 1272.81 o 3 3 1 434.53 422.66 33.64 o 5 3 1 5179.67 5436.19 240.65 o 7 3 1 21665.41 22807.29 673.04 o 9 3 1 2528.10 2764.95 250.54 o 11 3 1 2070.59 2134.27 96.13 o 13 3 1 1212.56 1109.73 132.75 o 15 3 1 772.26 775.82 115.87 o 17 3 1 5880.54 5973.09 291.30 o -16 4 1 3039.11 2920.34 159.51 o -14 4 1 33.51 79.52 37.48 o -12 4 1 11565.91 11460.74 491.71 o -10 4 1 1810.85 1807.68 90.18 o -8 4 1 12485.73 12075.16 395.17 o -6 4 1 8909.27 9521.79 348.93 o -4 4 1 840.36 1033.93 84.81 o -2 4 1 4074.99 4181.18 186.86 o 0 4 1 1267.83 1181.27 58.84 o 2 4 1 5371.21 5262.93 193.98 o 4 4 1 1466.69 1726.24 149.68 o 6 4 1 10762.22 11804.99 534.09 o 8 4 1 6292.25 6592.40 246.01 o 10 4 1 3866.84 4193.29 465.85 o 12 4 1 12314.26 12779.72 535.32 o 14 4 1 145.65 149.99 41.47 o 16 4 1 1820.91 1740.75 109.65 o -15 5 1 496.48 512.25 89.89 o -13 5 1 36.46 66.33 35.43 o -11 5 1 435.22 581.50 99.79 o -9 5 1 3509.04 3443.58 161.41 o -7 5 1 9115.69 8719.72 407.60 o -5 5 1 1274.39 1377.58 106.40 o -3 5 1 14256.24 14143.95 495.16 o -1 5 1 19231.65 18337.03 801.25 o 1 5 1 19772.08 18771.71 668.71 o 3 5 1 14470.39 14736.35 621.92 o 5 5 1 2999.25 2586.73 206.05 o 7 5 1 6126.41 6231.47 348.32 o 9 5 1 3539.54 3331.82 254.37 o 11 5 1 662.61 786.75 113.53 o 13 5 1 96.01 214.62 49.99 o 15 5 1 595.99 656.90 75.17 o 17 5 1 2900.71 2786.20 212.48 o -14 6 1 605.97 619.26 104.46 o -12 6 1 1047.48 1099.13 88.85 o -10 6 1 1696.79 1814.95 92.13 o -8 6 1 10541.32 10656.77 496.40 o -6 6 1 615.90 573.87 47.67 o -4 6 1 6247.21 6243.77 237.00 o -2 6 1 10135.44 9297.57 422.95 o 0 6 1 3519.58 3063.36 126.30 o 2 6 1 4827.10 4615.06 325.49 o 4 6 1 4916.91 5235.74 320.45 o 6 6 1 2051.45 1922.24 96.77 o 8 6 1 9139.28 9351.07 450.91 o 10 6 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