#------------------------------------------------------------------------------ #$Date: 2010-04-11 15:29:29 +0300 (Sun, 11 Apr 2010) $ #$Revision: 1088 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2225403.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_2225403_Fobs loop_ _publ_author_name 'Saparov, Bayrammurad' 'Bobev, Svilen' _publ_section_title ; Undecaeuropium hexazinc dodecaarsenide ; _journal_coeditor_code WM2307 _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i24 _journal_volume 66 _journal_year 2010 _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90.000 _cell_angle_beta 109.746 _cell_angle_gamma 90.000 _cell_length_a 30.3097 _cell_length_b 4.3318 _cell_length_c 11.7738 _exptl_crystal_F_000 2538.00 _reflns_d_resolution_high 0.7801 _[local]_cod_data_source_file wm2307Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Eu11Zn6As12 in C2/m' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1848.12 _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, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' '-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 2 0 0 1809.18 -16.82 42.15 o 4 0 0 21650.03 20615.54 519.52 o 6 0 0 4377.98 4372.91 341.93 o 8 0 0 17636.49 16083.05 1618.20 o 10 0 0 393369.78 389001.63 4337.29 o 12 0 0 626838.50 611311.81 14013.32 o 14 0 0 24335.49 24018.31 1001.39 o 16 0 0 3010.58 2796.88 431.90 o 18 0 0 9349.95 8511.19 687.82 o 20 0 0 46196.80 44465.75 1470.56 o 22 0 0 5142.97 5320.69 1776.67 o 24 0 0 38040.39 32528.18 4767.38 o 26 0 0 9850.47 9545.31 2235.84 o 28 0 0 8627.64 9197.68 1656.87 o 30 0 0 42765.81 38215.06 3052.62 o 32 0 0 4522.94 3005.21 1094.31 o 34 0 0 23076.99 20306.31 2518.81 o 36 0 0 1060.89 111.67 864.93 o 1 1 0 156452.61 159749.88 2075.00 o 3 1 0 36945.41 37194.57 740.48 o 5 1 0 47743.79 52280.23 937.84 o 7 1 0 574769.88 577737.69 5670.97 o 9 1 0 328879.97 340823.78 4171.19 o 11 1 0 131634.69 135440.00 1878.62 o 13 1 0 17107.03 16774.05 682.98 o 15 1 0 162797.67 168709.02 2098.80 o 17 1 0 23751.49 24196.41 850.43 o 19 1 0 89285.57 91739.59 2006.41 o 21 1 0 38880.92 40285.73 2095.51 o 23 1 0 91665.16 92895.71 3094.14 o 25 1 0 17274.46 16876.90 1434.60 o 27 1 0 11368.60 9618.20 1164.27 o 29 1 0 18283.23 17308.40 1754.46 o 31 1 0 504.97 130.73 503.39 o 33 1 0 789.29 574.08 598.51 o 35 1 0 80065.49 76795.39 3905.17 o 0 2 0 3415542.00 3119553.75 27852.42 o 2 2 0 1179.98 1243.54 232.72 o 4 2 0 13595.00 12927.76 547.32 o 6 2 0 3061.95 3422.81 413.97 o 8 2 0 11482.97 12384.34 663.45 o 10 2 0 246682.50 260126.27 2940.81 o 12 2 0 405047.41 421179.78 3975.02 o 14 2 0 16715.52 16991.33 872.40 o 16 2 0 2380.79 3133.50 485.28 o 18 2 0 6198.23 6512.59 634.60 o 20 2 0 32691.45 33052.43 1527.41 o 22 2 0 3609.55 5133.57 771.99 o 24 2 0 27288.79 26439.28 1510.58 o 26 2 0 7173.04 7127.96 1180.80 o 28 2 0 6393.36 5246.75 1408.92 o 30 2 0 33913.32 34495.74 3155.10 o 32 2 0 3640.11 2599.39 1093.68 o 34 2 0 18273.64 16472.40 2323.26 o 1 3 0 64547.99 63163.33 1757.32 o 3 3 0 11877.27 11611.85 626.93 o 5 3 0 21445.59 21814.06 867.18 o 7 3 0 260054.53 265699.84 3232.16 o 9 3 0 143342.70 147516.61 2378.91 o 11 3 0 65487.44 67812.06 1648.02 o 13 3 0 10045.99 10628.54 1035.35 o 15 3 0 77373.57 78711.00 2293.92 o 17 3 0 11971.77 12834.35 1092.95 o 19 3 0 47545.88 47557.48 2252.54 o 21 3 0 19822.53 20795.09 3353.14 o 23 3 0 54079.66 56445.39 3076.90 o 25 3 0 9083.59 10605.08 1410.23 o 27 3 0 7246.69 9022.77 1822.04 o 29 3 0 10638.08 9992.46 2012.68 o 0 4 0 1173756.25 1169881.88 14125.91 o 2 4 0 719.49 753.68 337.43 o 4 4 0 6354.48 7334.80 751.04 o 6 4 0 1723.52 1610.73 438.11 o 8 4 0 4235.95 5077.46 718.11 o 10 4 0 89858.69 94030.47 2364.12 o 12 4 0 150328.83 152451.91 5719.52 o 14 4 0 7258.57 6806.91 941.05 o 16 4 0 1175.00 1270.75 593.11 o 18 4 0 2503.87 2042.25 629.18 o 20 4 0 12925.27 12875.16 1993.91 o 22 4 0 1364.48 1641.50 678.90 o 24 4 0 10942.65 10577.51 1496.42 o 1 5 0 21171.24 22922.45 1707.15 o 3 5 0 1978.76 2668.50 865.82 o 5 5 0 7376.80 7609.96 1189.80 o 7 5 0 88786.04 93770.13 3019.71 o 9 5 0 43427.12 44852.05 2236.74 o 11 5 0 23837.36 24854.01 1779.85 o 13 5 0 3640.95 4633.68 839.56 o 15 5 0 24365.77 24750.39 1873.08 o -36 0 1 340.81 -100.76 969.37 o -34 0 1 1130.10 2254.46 1274.98 o -32 0 1 65392.68 66037.30 3675.36 o -30 0 1 322.59 -268.55 621.54 o -28 0 1 4168.02 4932.27 1192.42 o -26 0 1 19688.02 21125.21 2160.25 o -24 0 1 933.05 1097.65 637.04 o -22 0 1 57896.55 55622.98 1968.87 o -20 0 1 137502.14 131578.09 4555.08 o -18 0 1 7810.23 6386.33 772.86 o -16 0 1 2115.47 723.57 912.32 o -14 0 1 557.88 532.89 258.17 o -12 0 1 9271.90 9184.32 681.03 o -10 0 1 455008.56 454555.34 4391.29 o -8 0 1 16372.50 15742.97 719.83 o -6 0 1 1.62 162.07 156.70 o -4 0 1 5.44 434.72 146.89 o -2 0 1 11019.17 11896.92 247.70 o 0 0 1 2838.10 2854.80 306.08 o 2 0 1 7755.71 8378.00 304.69 o 4 0 1 1684.51 1795.53 141.78 o 6 0 1 103.97 -187.10 237.38 o 8 0 1 144871.00 146268.19 3185.45 o 10 0 1 51429.68 48069.28 1957.89 o 12 0 1 2316.18 2148.52 579.35 o 14 0 1 700271.50 635498.44 8900.13 o 16 0 1 1060.73 974.51 556.96 o 18 0 1 41659.16 39262.90 2301.07 o 20 0 1 3820.76 4456.77 962.21 o 22 0 1 115242.96 104711.99 4080.97 o 24 0 1 327723.94 312949.88 7513.06 o 26 0 1 272887.06 259940.80 7002.41 o 28 0 1 34367.79 31950.13 3151.54 o 30 0 1 5875.76 6617.71 1334.93 o 34 0 1 17230.06 15105.36 2916.73 o -35 1 1 14477.92 14672.56 1568.16 o -33 1 1 79471.41 73677.23 3723.00 o -31 1 1 86836.89 83362.53 4741.75 o -29 1 1 9239.52 10581.68 1408.82 o -27 1 1 1736.99 1155.56 447.94 o -25 1 1 27609.32 27500.46 1536.87 o -23 1 1 19125.77 21457.52 1139.31 o -21 1 1 16358.82 15432.57 784.27 o -19 1 1 283142.59 278972.59 2996.44 o -17 1 1 606.53 540.31 202.35 o -15 1 1 3296.88 4018.32 640.22 o -13 1 1 3656.84 3355.24 372.71 o -11 1 1 13802.49 14125.63 606.08 o -9 1 1 656712.63 672026.63 8404.61 o -7 1 1 53242.93 54475.27 965.69 o -5 1 1 19403.53 18019.79 1079.11 o -3 1 1 17337.18 16367.39 388.14 o -1 1 1 35026.05 34377.15 579.63 o 1 1 1 46604.33 46327.12 880.15 o 3 1 1 24635.42 24189.14 661.60 o 5 1 1 31798.10 32584.57 816.50 o 7 1 1 387743.84 382160.72 3112.19 o 9 1 1 57431.19 58547.41 1050.30 o 11 1 1 36.88 279.75 145.03 o 13 1 1 4877.13 5486.16 415.94 o 15 1 1 112933.27 110559.66 2075.75 o 17 1 1 46178.04 47820.86 1437.04 o 19 1 1 2566.29 1469.98 454.15 o 23 1 1 85537.73 85655.16 6235.84 o 25 1 1 36254.42 32348.55 2130.42 o 27 1 1 19034.08 19502.59 2526.11 o 29 1 1 38433.80 36832.48 2371.61 o 31 1 1 72808.81 66832.03 3505.23 o 33 1 1 357.81 368.08 495.53 o 35 1 1 1070.46 469.90 760.07 o -34 2 1 780.08 156.61 685.47 o -32 2 1 50876.15 60765.51 4066.49 o -30 2 1 252.55 810.21 687.99 o -28 2 1 3025.74 4271.83 1925.64 o -26 2 1 14264.05 17169.47 1863.11 o -24 2 1 673.90 989.49 549.96 o -22 2 1 40987.39 39536.33 1622.10 o -20 2 1 96950.41 98534.48 2069.13 o -18 2 1 5524.27 6374.24 632.91 o -16 2 1 950.87 1035.83 306.75 o -14 2 1 558.21 470.86 232.95 o -12 2 1 5764.69 6460.54 526.90 o -10 2 1 286303.25 292203.72 2930.61 o -8 2 1 9073.61 8699.81 658.57 o -6 2 1 41.93 199.38 137.56 o -4 2 1 22.35 135.09 133.64 o -2 2 1 6972.82 6304.24 398.20 o 0 2 1 1524.97 1974.74 261.98 o 2 2 1 3988.80 3598.41 370.17 o 4 2 1 1146.28 924.29 313.62 o 6 2 1 18.90 -53.70 155.05 o 8 2 1 90313.05 87324.68 1673.86 o 10 2 1 34629.40 33333.08 1081.62 o 12 2 1 1473.58 1473.97 344.80 o 14 2 1 474985.84 492608.31 4840.98 o 16 2 1 742.68 454.82 272.92 o 18 2 1 30979.57 31103.11 1483.66 o 20 2 1 2973.33 2842.55 647.59 o 22 2 1 85889.82 87666.09 2540.81 o 24 2 1 243823.86 251548.44 7410.98 o 26 2 1 203008.89 214421.06 5351.21 o 28 2 1 27294.71 25378.96 5028.67 o 30 2 1 4518.35 2705.87 1020.65 o 32 2 1 51904.12 45918.77 3652.30 o -31 3 1 50748.81 50789.81 3686.39 o -29 3 1 4475.40 1926.53 1039.52 o -27 3 1 1015.29 857.22 657.62 o -25 3 1 16327.88 18011.26 1691.48 o -23 3 1 9593.39 8978.14 1184.91 o -21 3 1 8335.07 8338.64 1172.35 o -19 3 1 144415.22 151278.38 3952.53 o -17 3 1 38.12 424.92 343.28 o -15 3 1 1331.70 723.78 438.98 o -13 3 1 1034.56 1126.45 431.90 o -11 3 1 6068.03 6643.30 836.36 o -9 3 1 297580.88 292421.66 4392.07 o -7 3 1 20717.07 18151.59 804.28 o -5 3 1 7101.88 6454.50 464.98 o -3 3 1 5849.34 5915.85 487.72 o -1 3 1 13512.56 13637.72 685.52 o 1 3 1 19628.24 20030.85 780.49 o 3 3 1 11029.60 11138.21 684.48 o 5 3 1 13994.55 14900.09 929.89 o 7 3 1 168571.94 170251.45 2657.51 o 9 3 1 25697.96 25700.17 1119.02 o 11 3 1 18.02 119.13 226.96 o 13 3 1 2805.72 2419.76 556.92 o 15 3 1 58302.64 57784.09 1655.35 o 17 3 1 26438.58 26413.49 1964.84 o 19 3 1 1422.85 876.84 465.22 o 21 3 1 101324.10 109062.83 3527.48 o 23 3 1 48474.71 54591.77 2628.43 o 25 3 1 21661.91 24785.82 2723.24 o 27 3 1 10235.97 10703.78 2070.72 o 29 3 1 22579.30 24866.96 2827.52 o -26 4 1 6168.63 7293.55 1205.40 o -24 4 1 255.18 -191.27 476.41 o -22 4 1 17314.43 17246.58 1764.20 o -20 4 1 41154.13 43074.80 2456.11 o -18 4 1 2255.54 2339.63 687.65 o -16 4 1 32.70 546.51 412.99 o -14 4 1 448.22 445.38 365.16 o -12 4 1 1921.72 2203.78 476.34 o -10 4 1 107387.21 106152.41 2670.99 o -8 4 1 1765.79 1778.27 463.89 o -6 4 1 243.33 351.24 318.98 o -4 4 1 58.07 -82.06 274.65 o -2 4 1 3677.75 3303.20 542.47 o 0 4 1 570.68 403.33 444.50 o 2 4 1 1085.65 1181.73 343.96 o 4 4 1 485.16 477.24 309.27 o 6 4 1 1.46 209.07 277.28 o 8 4 1 35304.21 33047.63 1462.74 o 10 4 1 14924.38 15848.81 1344.98 o 12 4 1 499.28 628.77 427.49 o 14 4 1 192625.72 199768.47 4194.93 o 16 4 1 221.86 49.40 427.21 o 18 4 1 14960.41 12894.03 1586.08 o 20 4 1 1710.20 1791.49 766.32 o 22 4 1 39661.90 45404.84 3571.34 o 24 4 1 110753.16 119796.05 4036.43 o -15 5 1 358.04 521.37 437.06 o -13 5 1 29.12 -407.20 461.54 o -11 5 1 1758.09 2194.45 761.10 o -9 5 1 98245.69 96065.19 2999.81 o -7 5 1 5397.05 4680.17 1004.29 o -5 5 1 1726.11 2182.95 848.67 o -3 5 1 1086.22 1196.49 757.80 o -1 5 1 3794.36 3998.40 979.99 o 1 5 1 6538.14 6101.18 1054.96 o 3 5 1 4130.73 4042.98 940.63 o 5 5 1 4596.74 5477.93 1042.91 o 7 5 1 52119.03 56876.80 2350.56 o 9 5 1 7911.92 7719.44 1152.24 o 11 5 1 112.05 773.22 672.88 o 13 5 1 1601.57 2512.00 867.01 o -36 0 2 25.78 -296.54 805.38 o -34 0 2 8187.86 7840.17 1640.91 o -32 0 2 1668.93 2882.55 1017.16 o -30 0 2 15016.90 16233.74 1969.42 o -28 0 2 666.58 1043.69 1185.32 o -26 0 2 190926.14 188011.61 5455.57 o -24 0 2 75776.57 72521.30 3284.13 o -22 0 2 2711.46 2266.98 525.43 o -20 0 2 36.56 227.19 304.94 o -18 0 2 301181.28 307913.38 4351.16 o -16 0 2 430224.53 437256.16 5131.73 o -14 0 2 8151.45 8527.87 727.89 o -12 0 2 6140.57 7495.11 627.97 o -10 0 2 22317.49 22968.37 892.65 o -8 0 2 243558.78 256339.44 2722.49 o -6 0 2 4544.79 5780.79 388.53 o -4 0 2 7603.67 9086.26 369.17 o -2 0 2 761.53 1137.16 447.60 o 0 0 2 11.02 290.79 190.62 o 2 0 2 7161.64 7747.54 482.96 o 4 0 2 181013.13 180969.03 2229.84 o 6 0 2 82093.46 85542.54 1667.07 o 8 0 2 52747.94 51565.65 1991.33 o 10 0 2 2892.24 3742.18 769.19 o 12 0 2 227710.25 213858.41 4766.85 o 14 0 2 161385.52 149956.23 4208.99 o 16 0 2 151191.55 145193.92 4368.66 o 18 0 2 169.87 593.81 663.12 o 20 0 2 65058.04 65285.18 3155.62 o 22 0 2 2602.66 1889.67 1246.18 o 24 0 2 34068.90 28471.85 3272.65 o 28 0 2 18529.19 16100.85 2073.82 o 30 0 2 10766.62 8730.63 1619.33 o 32 0 2 45199.49 37165.32 4039.12 o 34 0 2 218.52 971.68 766.71 o -37 1 2 278.64 232.98 667.16 o -35 1 2 13288.01 13404.33 1589.47 o -33 1 2 91020.64 95461.17 2963.46 o -31 1 2 14973.28 13579.98 1396.84 o -29 1 2 134311.42 132381.27 3806.27 o -27 1 2 374.70 654.45 319.52 o -25 1 2 71951.30 71681.36 1821.34 o -23 1 2 75347.77 75345.87 1581.80 o -21 1 2 164705.28 166890.00 2300.44 o -19 1 2 570272.31 557887.69 5527.04 o -17 1 2 71438.72 69682.75 1406.63 o -15 1 2 65735.37 64840.65 1434.36 o -13 1 2 26933.92 25785.61 843.51 o -11 1 2 17.27 59.12 183.03 o -9 1 2 687758.31 699666.88 5256.94 o -7 1 2 7877.39 8190.67 551.92 o -5 1 2 35489.20 34029.65 980.60 o -3 1 2 2869.38 3146.27 220.58 o -1 1 2 23850.63 22997.99 639.42 o 1 1 2 14339.94 14589.37 577.41 o 3 1 2 55175.89 54981.07 1055.88 o 5 1 2 618014.88 614531.06 8006.15 o 7 1 2 141649.59 135619.03 2109.56 o 9 1 2 39.50 -8.63 138.91 o 11 1 2 19772.61 18559.93 868.16 o 13 1 2 68106.62 67322.43 1610.70 o 15 1 2 37884.45 38535.73 1286.86 o 17 1 2 522397.34 517422.69 5129.90 o 19 1 2 40028.89 36672.48 2053.44 o 21 1 2 3864.70 2362.02 767.27 o 23 1 2 220.06 135.45 317.95 o 25 1 2 1993.92 1146.20 623.69 o 27 1 2 7948.99 8264.12 1025.53 o 29 1 2 8925.62 9370.15 1171.55 o 31 1 2 66869.96 59066.65 2814.21 o 33 1 2 157.26 53.88 436.97 o -34 2 2 6080.02 6252.91 1441.15 o -32 2 2 1374.06 564.66 749.02 o -30 2 2 11835.33 11637.03 1955.68 o -28 2 2 515.33 312.67 409.98 o -26 2 2 145218.97 148702.67 3833.58 o -24 2 2 54223.60 54599.46 2260.39 o -22 2 2 1353.58 987.52 436.17 o -20 2 2 2.29 2.59 236.56 o -18 2 2 211871.92 222993.50 2979.93 o -16 2 2 295174.16 295434.72 3277.24 o -14 2 2 6015.26 7373.17 534.54 o -12 2 2 3217.92 4454.68 606.16 o -10 2 2 13892.57 12844.75 825.24 o -8 2 2 149929.39 146923.53 2380.54 o -6 2 2 3262.00 3636.56 452.56 o -4 2 2 4088.65 3696.99 338.10 o -2 2 2 318.15 460.86 197.29 o 0 2 2 7.43 271.58 149.40 o 2 2 2 4044.08 3864.45 425.53 o 4 2 2 112541.61 111743.91 1882.54 o 6 2 2 49384.64 48632.16 1278.45 o 8 2 2 30927.36 29421.70 1046.45 o 10 2 2 1662.01 1522.99 297.04 o 12 2 2 159455.39 163170.31 2273.71 o 14 2 2 112874.02 112960.67 2090.88 o 16 2 2 102479.77 102763.52 2558.40 o 18 2 2 134.05 199.43 347.82 o 20 2 2 45636.14 43817.31 1864.65 o 22 2 2 2147.50 2242.33 737.15 o 24 2 2 26412.69 26764.87 2092.69 o 26 2 2 52119.48 49350.46 2753.93 o 28 2 2 14751.59 15950.55 1903.35 o 30 2 2 8520.96 10897.63 2218.38 o 32 2 2 35074.29 35434.75 3219.04 o -31 3 2 8694.42 7635.07 1578.72 o -29 3 2 79557.69 81817.07 3012.67 o -27 3 2 87.99 666.52 641.83 o -25 3 2 41932.88 40284.59 2529.82 o -23 3 2 42545.54 44895.63 2275.29 o -21 3 2 87403.84 89831.88 3080.12 o -19 3 2 300490.97 319571.78 4839.65 o -17 3 2 37229.68 37134.10 1921.93 o -15 3 2 33281.23 31857.56 1552.57 o -13 3 2 11000.83 11230.01 964.65 o -11 3 2 8.42 -100.14 264.83 o -9 3 2 304570.78 285510.66 4761.25 o -7 3 2 3260.83 3410.67 490.48 o -5 3 2 12929.38 11792.52 624.94 o -3 3 2 1081.04 947.98 224.94 o -1 3 2 8392.38 7695.66 562.66 o 1 3 2 4238.23 4052.98 450.78 o 3 3 2 23716.11 23596.26 1026.98 o 5 3 2 272833.84 269489.59 3432.52 o 7 3 2 58717.50 59831.07 1621.13 o 9 3 2 5.92 128.15 262.55 o 11 3 2 10244.04 10770.58 862.47 o 13 3 2 33661.66 35617.25 1383.41 o 15 3 2 20067.00 21403.05 1354.83 o 17 3 2 275035.13 282875.47 4630.66 o 19 3 2 21859.41 22228.48 1836.51 o 21 3 2 1694.05 456.88 477.60 o 23 3 2 120.00 18.68 699.70 o 25 3 2 1118.31 672.02 728.29 o 27 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