#------------------------------------------------------------------------------ #$Date: 2017-03-02 07:39:05 +0200 (Thu, 02 Mar 2017) $ #$Revision: 192758 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/20/2242045.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_2242045 _cell_angle_alpha 73.346 _cell_angle_beta 89.701 _cell_angle_gamma 89.698 _cell_length_a 4.8731 _cell_length_b 6.2429 _cell_length_c 8.0130 _exptl_crystal_F_000 196.00 _reflns_d_resolution_high 0.7002 _cod_data_source_file wm5356Isup3.hkl _cod_data_source_block I _shelx_title ' li3gab2o6_a.res in P-1' _shelx_refln_list_code 4 _shelx_f_calc_maximum 93.48 _shelx_f_squared_multiplier 1.000 loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, -y, -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 0 0 921.86 926.04 16.01 o 2 0 0 4215.38 4546.91 31.61 o 3 0 0 1463.85 1525.26 20.68 o 4 0 0 817.03 793.03 22.84 o 5 0 0 46.83 54.84 5.54 o 6 0 0 721.40 765.58 26.60 o -6 1 0 23.52 16.37 6.01 o -5 1 0 34.35 38.42 4.54 o -4 1 0 557.18 563.77 17.20 o -3 1 0 7.34 3.72 1.54 o -2 1 0 1544.79 1454.90 28.08 o -1 1 0 1339.28 1196.88 69.21 o 0 1 0 69.68 76.71 2.79 o 1 1 0 2832.84 2840.34 32.73 o 2 1 0 2016.93 2018.92 20.30 o 3 1 0 260.68 252.26 9.58 o 4 1 0 271.85 287.82 11.05 o 5 1 0 1561.31 1669.64 36.05 o 6 1 0 149.94 149.14 18.74 o -6 2 0 231.41 215.53 15.22 o -5 2 0 64.82 65.49 7.49 o -4 2 0 13.12 21.14 3.47 o -3 2 0 1073.15 1088.39 17.30 o -2 2 0 279.14 241.83 9.50 o -1 2 0 729.00 756.96 9.03 o 0 2 0 173.03 138.39 5.57 o 1 2 0 514.71 481.55 10.56 o 2 2 0 57.73 66.01 3.73 o 3 2 0 1137.28 1152.99 20.74 o 4 2 0 260.33 284.18 10.47 o 5 2 0 7.74 3.13 2.47 o 6 2 0 257.85 249.40 22.80 o -6 3 0 5.77 4.07 7.36 o -5 3 0 108.67 100.34 10.12 o -4 3 0 602.27 667.84 45.90 o -3 3 0 1196.74 1167.49 26.56 o -2 3 0 495.37 484.81 15.20 o -1 3 0 3357.85 3460.28 40.11 o 0 3 0 104.81 99.61 4.37 o 1 3 0 3.25 3.99 1.20 o 2 3 0 985.61 958.35 15.84 o 3 3 0 1247.53 1282.68 23.85 o 4 3 0 196.19 208.67 12.70 o 5 3 0 657.98 690.22 25.59 o 6 3 0 126.04 141.87 18.84 o -6 4 0 327.65 305.26 30.67 o -5 4 0 353.77 390.58 20.30 o -4 4 0 299.18 277.51 17.77 o -3 4 0 1106.32 1156.32 29.14 o -2 4 0 332.93 317.12 14.06 o -1 4 0 34.70 30.07 2.65 o 0 4 0 689.43 719.45 14.07 o 1 4 0 355.96 346.71 10.13 o 2 4 0 313.75 308.69 9.89 o 3 4 0 66.04 76.60 7.77 o 4 4 0 991.83 1033.81 30.44 o 5 4 0 52.27 45.22 7.29 o 6 4 0 104.53 98.72 17.52 o -5 5 0 269.17 283.64 18.80 o -4 5 0 1101.08 1157.19 78.91 o -3 5 0 30.39 12.67 8.81 o -2 5 0 868.82 881.63 25.95 o -1 5 0 443.25 438.14 17.44 o 0 5 0 468.04 464.96 12.81 o 1 5 0 415.02 411.87 13.87 o 2 5 0 1707.86 1713.21 36.03 o 3 5 0 42.98 46.90 6.68 o 4 5 0 164.94 170.93 13.50 o 5 5 0 119.75 113.75 21.99 o -4 6 0 48.59 40.52 7.77 o -3 6 0 195.15 185.11 13.81 o -2 6 0 407.82 425.17 33.83 o -1 6 0 40.02 33.13 5.81 o 0 6 0 234.99 224.89 9.96 o 1 6 0 1088.40 1068.66 24.34 o 2 6 0 27.36 29.48 8.70 o 3 6 0 429.22 431.11 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22.31 o -2 -5 1 180.49 183.80 9.58 o -1 -5 1 274.29 278.34 10.64 o 0 -5 1 1076.11 1123.80 20.31 o 1 -5 1 466.46 467.74 18.24 o 2 -5 1 44.08 40.36 5.54 o 3 -5 1 731.80 782.19 26.65 o 4 -5 1 168.14 152.45 12.79 o 5 -5 1 0.09 -1.72 3.79 o -6 -4 1 22.90 28.98 12.35 o -5 -4 1 167.92 170.98 13.35 o -4 -4 1 486.93 493.88 20.82 o -3 -4 1 11.84 11.54 2.93 o -2 -4 1 506.64 503.53 13.47 o -1 -4 1 1900.55 1949.61 25.94 o 0 -4 1 1.52 3.35 1.71 o 1 -4 1 1662.21 1621.50 30.75 o 2 -4 1 490.02 507.20 19.63 o 3 -4 1 62.60 59.12 7.78 o 4 -4 1 112.33 121.36 10.86 o 5 -4 1 395.77 371.48 20.18 o 6 -4 1 65.39 46.33 9.10 o -6 -3 1 37.00 33.51 11.41 o -5 -3 1 652.10 634.70 30.74 o -4 -3 1 188.59 182.43 9.12 o -3 -3 1 1568.23 1478.57 46.92 o -2 -3 1 1166.82 1201.63 34.36 o -1 -3 1 11.46 10.21 1.59 o 0 -3 1 757.67 764.96 12.99 o 1 -3 1 1449.47 1443.16 25.03 o 2 -3 1 67.04 69.97 6.05 o 3 -3 1 875.18 868.69 23.47 o 4 -3 1 1296.39 1331.33 32.58 o 5 -3 1 2.62 4.57 3.92 o 6 -3 1 541.90 539.49 25.01 o -6 -2 1 33.56 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3782.85 33.77 o -1 -2 2 572.21 559.52 11.76 o 0 -2 2 236.03 272.57 7.10 o 1 -2 2 711.95 630.89 17.35 o 2 -2 2 173.97 164.63 8.66 o 3 -2 2 77.57 76.38 6.67 o 4 -2 2 11.79 12.73 3.53 o 5 -2 2 468.34 474.92 32.99 o 6 -2 2 28.54 24.16 6.56 o -6 -1 2 445.13 440.70 31.20 o -5 -1 2 370.13 360.02 25.67 o -4 -1 2 506.70 485.50 25.10 o -3 -1 2 5489.66 5495.07 70.48 o -2 -1 2 232.97 227.66 7.09 o -1 -1 2 3862.31 4160.59 52.59 o 0 -1 2 2293.30 2341.24 18.85 o 1 -1 2 3907.32 4063.07 83.89 o 2 -1 2 245.58 232.94 6.37 o 3 -1 2 5338.10 5274.86 67.54 o 4 -1 2 307.86 302.57 10.26 o 5 -1 2 226.06 240.92 13.82 o 6 -1 2 238.81 239.17 23.54 o -6 0 2 3.68 4.30 4.59 o -5 0 2 470.64 482.63 15.60 o -4 0 2 145.38 145.68 9.76 o -3 0 2 1.01 3.05 1.69 o -2 0 2 661.21 655.77 17.34 o -1 0 2 2799.05 2809.39 28.31 o 0 0 2 53.94 54.18 2.65 o 1 0 2 1639.70 1742.69 28.70 o 2 0 2 2694.94 2712.89 23.71 o 3 0 2 293.89 271.47 11.98 o 4 0 2 1007.05 1039.89 19.56 o 5 0 2 676.29 699.31 18.03 o -6 1 2 288.80 289.80 17.92 o -5 1 2 501.39 470.74 18.19 o -4 1 2 186.78 183.09 8.29 o -3 1 2 980.57 938.55 21.15 o -2 1 2 320.55 288.07 7.19 o -1 1 2 2.46 2.00 1.07 o 0 1 2 2316.88 2314.75 17.60 o 1 1 2 438.92 377.56 7.35 o 2 1 2 187.14 202.31 5.66 o 3 1 2 935.89 939.00 15.33 o 4 1 2 596.81 590.90 33.80 o 5 1 2 70.92 71.29 7.90 o 6 1 2 290.93 261.64 22.93 o -6 2 2 131.26 76.21 16.82 o -5 2 2 312.71 289.08 12.12 o -4 2 2 1184.67 1140.60 25.24 o -3 2 2 117.80 111.10 5.75 o -2 2 2 45.12 46.56 7.78 o -1 2 2 990.83 925.58 19.78 o 0 2 2 8739.25 9185.92 88.84 o 1 2 2 172.13 142.02 8.93 o 2 2 2 4181.00 4160.04 45.00 o 3 2 2 333.47 281.62 16.14 o 4 2 2 49.88 53.96 6.61 o 5 2 2 641.29 673.59 24.75 o 6 2 2 254.80 252.04 16.88 o -6 3 2 506.55 514.83 36.77 o -5 3 2 22.06 14.31 5.26 o -4 3 2 32.64 26.65 4.89 o -3 3 2 717.66 695.79 19.79 o -2 3 2 1170.83 1181.25 30.71 o -1 3 2 6.32 3.95 1.35 o 0 3 2 676.89 614.00 15.31 o 1 3 2 2146.36 2090.54 37.25 o 2 3 2 125.51 118.03 8.12 o 3 3 2 319.77 328.85 14.70 o 4 3 2 251.66 253.71 14.38 o 5 3 2 328.43 313.98 18.20 o 6 3 2 6.46 5.15 5.39 o -6 4 2 1.34 -2.89 5.99 o -5 4 2 322.43 296.10 17.71 o -4 4 2 341.39 379.86 27.57 o -3 4 2 248.94 244.11 9.34 o -2 4 2 757.66 788.38 16.85 o -1 4 2 3423.31 3495.97 34.11 o 0 4 2 11.43 14.34 2.30 o 1 4 2 696.07 698.38 13.06 o 2 4 2 454.79 450.76 19.03 o 3 4 2 504.00 501.17 20.04 o 4 4 2 22.10 14.72 4.01 o 5 4 2 333.10 367.35 20.60 o 6 4 2 107.82 122.32 13.33 o -5 5 2 219.54 208.74 24.80 o -4 5 2 2.12 -2.97 3.38 o -3 5 2 121.24 115.53 10.00 o -2 5 2 548.21 568.14 14.55 o -1 5 2 132.79 129.60 6.93 o 0 5 2 744.56 726.28 16.10 o 1 5 2 644.11 627.29 26.26 o 2 5 2 66.27 70.90 7.82 o 3 5 2 125.92 127.55 10.78 o 4 5 2 665.43 700.61 27.78 o 5 5 2 81.02 79.12 10.88 o -5 6 2 1.71 8.19 7.24 o -4 6 2 447.25 433.67 43.27 o -3 6 2 341.29 364.86 19.11 o -2 6 2 9.74 9.37 3.41 o -1 6 2 493.84 465.24 21.17 o 0 6 2 514.56 503.84 15.97 o 1 6 2 93.88 95.44 8.78 o 2 6 2 298.85 324.50 17.04 o 3 6 2 63.58 52.38 8.16 o 4 6 2 30.17 31.25 6.87 o 5 6 2 123.79 130.61 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