#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2006996.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_2006996_Fobs loop_ _publ_author_name 'Rangan, K. K.' 'Piffard, Y.' 'Joubert, O.' 'Tournoux, M.' _publ_section_title ; Li~2~VOSiO~4~: a Natisite-Type Structure ; _journal_issue 2 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first 176 _journal_page_last 177 _journal_volume 54 _journal_year 1998 _space_group_IT_number 129 _symmetry_space_group_name_Hall '-P 4a 2a' _symmetry_space_group_name_H-M 'P 4/n m m :2' _exptl_crystal_F_000 166.00 _[local]_cod_data_source_file br1196sup2.hkl _[local]_cod_data_source_block liv #BEGIN Tags that were not found in dictionaries: _shelx_title ' liv in P4/nmm' _shelx_refln_list_code 4 _shelx_f_calc_maximum 77.06 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries 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 1 0 245.12 234.27 7.24 o 0 2 0 4480.12 4368.18 303.63 o 2 2 0 1032.96 958.09 28.58 o 1 3 0 973.85 974.51 30.24 o 3 3 0 1407.55 1436.01 44.71 o 0 4 0 5938.68 5787.83 311.06 o 2 4 0 1330.85 1365.07 44.63 o 4 4 0 2572.42 2678.81 79.84 o 1 5 0 1.54 -22.97 14.22 o 3 5 0 74.21 48.19 23.31 o 5 5 0 35.04 47.43 33.21 o 0 6 0 1782.55 1717.08 185.79 o 2 6 0 932.32 967.32 38.96 o 4 6 0 989.52 976.79 33.38 o 6 6 0 744.52 769.18 46.63 o 1 7 0 207.08 202.84 20.51 o 3 7 0 391.29 397.83 24.22 o 5 7 0 57.18 39.86 32.50 o 7 7 0 275.56 340.12 44.71 o 0 8 0 938.53 929.97 99.40 o 2 8 0 237.23 212.70 32.02 o 4 8 0 573.33 576.92 37.76 o 6 8 0 290.20 300.25 31.67 o 1 9 0 4.08 -32.61 25.06 o 3 9 0 48.86 48.76 100.12 o 0 10 0 867.15 850.88 69.54 o 2 10 0 487.22 446.26 36.86 o 0 0 1 3463.05 3485.84 37.43 o 0 1 1 664.48 659.88 9.76 o 1 1 1 32.90 29.77 4.71 o 0 2 1 2983.21 2860.88 117.34 o 1 2 1 282.50 366.73 8.33 o 2 2 1 909.43 842.36 126.95 o 0 3 1 1412.98 1470.25 64.14 o 1 3 1 72.44 79.54 7.81 o 2 3 1 27.59 22.80 9.70 o 3 3 1 83.63 45.86 19.94 o 0 4 1 1288.37 1269.12 74.63 o 1 4 1 94.14 94.35 8.04 o 2 4 1 1437.24 1447.43 48.63 o 3 4 1 380.23 361.96 24.75 o 4 4 1 772.69 791.20 47.03 o 0 5 1 40.14 38.80 14.02 o 1 5 1 2.55 2.50 9.85 o 2 5 1 137.41 150.77 11.92 o 3 5 1 9.49 30.77 15.08 o 4 5 1 3.28 25.86 17.47 o 5 5 1 0.49 -30.26 31.22 o 0 6 1 1080.89 1096.82 47.41 o 1 6 1 20.27 18.33 12.57 o 2 6 1 514.32 520.04 19.21 o 3 6 1 137.96 153.06 15.72 o 4 6 1 714.12 707.27 20.69 o 5 6 1 0.35 -7.49 24.06 o 6 6 1 358.08 398.90 45.99 o 0 7 1 392.58 373.43 16.78 o 1 7 1 17.35 16.39 12.55 o 2 7 1 46.62 56.05 18.95 o 3 7 1 28.06 -21.62 23.10 o 4 7 1 199.77 193.00 20.90 o 5 7 1 10.02 -21.09 23.96 o 6 7 1 108.67 131.52 23.67 o 7 7 1 28.12 46.04 39.52 o 0 8 1 411.36 402.87 19.34 o 1 8 1 0.21 8.32 14.78 o 2 8 1 428.15 455.79 24.04 o 3 8 1 32.18 52.92 21.03 o 4 8 1 315.65 296.32 27.16 o 5 8 1 9.88 12.44 33.00 o 6 8 1 295.58 350.73 22.20 o 0 9 1 39.42 58.90 39.94 o 1 9 1 4.71 -1.39 18.69 o 2 9 1 9.00 3.96 23.84 o 3 9 1 10.62 25.49 29.43 o 4 9 1 12.73 -25.29 29.64 o 0 10 1 386.06 421.83 23.62 o 1 10 1 72.34 58.75 22.20 o 0 0 2 44.53 71.06 11.66 o 0 1 2 1374.09 1401.10 24.34 o 1 1 2 6.35 3.45 9.25 o 0 2 2 229.17 236.85 14.77 o 1 2 2 438.99 408.72 9.92 o 2 2 2 2530.79 2284.08 67.39 o 0 3 2 1262.59 1348.00 85.67 o 1 3 2 237.89 238.87 9.70 o 2 3 2 533.97 493.30 17.73 o 3 3 2 534.37 497.73 27.31 o 0 4 2 77.99 84.43 31.94 o 1 4 2 531.25 520.84 13.66 o 2 4 2 372.67 419.74 43.59 o 3 4 2 574.26 513.58 21.17 o 4 4 2 172.24 117.37 26.03 o 0 5 2 373.77 446.20 19.27 o 1 5 2 13.99 3.04 14.92 o 2 5 2 142.21 160.09 15.02 o 3 5 2 18.72 19.05 23.65 o 4 5 2 210.38 237.22 19.13 o 5 5 2 50.92 83.03 23.95 o 0 6 2 42.99 53.97 17.87 o 1 6 2 258.00 252.82 13.90 o 2 6 2 574.27 586.56 26.70 o 3 6 2 307.54 324.57 38.08 o 4 6 2 92.60 103.71 31.48 o 5 6 2 128.43 155.94 21.57 o 6 6 2 176.54 117.05 62.44 o 0 7 2 406.29 416.08 56.13 o 1 7 2 92.78 90.11 18.16 o 2 7 2 220.66 271.06 22.44 o 3 7 2 201.52 178.54 29.58 o 4 7 2 274.98 213.77 33.24 o 5 7 2 12.51 36.23 50.22 o 6 7 2 190.82 213.86 34.89 o 0 8 2 172.26 192.21 23.35 o 1 8 2 126.01 158.57 23.39 o 2 8 2 368.81 351.02 79.36 o 3 8 2 163.03 184.92 24.67 o 4 8 2 193.81 164.62 48.49 o 5 8 2 71.44 7.14 38.22 o 0 9 2 154.26 105.74 43.83 o 1 9 2 2.49 4.97 24.63 o 2 9 2 74.58 28.36 51.90 o 3 9 2 6.91 -15.20 50.14 o 0 0 3 6.76 11.82 23.31 o 0 1 3 536.69 560.77 12.61 o 1 1 3 78.72 97.23 10.00 o 0 2 3 405.76 409.71 17.05 o 1 2 3 1553.13 1532.45 23.16 o 2 2 3 502.44 505.07 28.58 o 0 3 3 130.57 150.92 22.99 o 1 3 3 218.55 220.80 10.88 o 2 3 3 661.17 576.53 56.21 o 3 3 3 345.94 341.24 27.94 o 0 4 3 9.02 26.02 27.78 o 1 4 3 476.97 476.01 14.47 o 2 4 3 332.95 354.73 20.28 o 3 4 3 175.53 165.90 18.45 o 4 4 3 28.59 48.70 32.26 o 0 5 3 449.08 453.10 46.39 o 1 5 3 23.03 7.53 20.54 o 2 5 3 984.92 976.96 45.75 o 3 5 3 74.02 59.99 29.55 o 4 5 3 428.07 412.56 26.18 o 5 5 3 2.82 -11.02 45.99 o 0 6 3 85.50 75.39 31.19 o 1 6 3 381.63 369.86 33.78 o 2 6 3 135.71 140.29 42.79 o 3 6 3 173.39 197.85 26.30 o 4 6 3 84.63 27.55 39.33 o 5 6 3 378.56 345.08 29.86 o 6 6 3 41.45 20.28 58.60 o 0 7 3 48.61 35.06 58.04 o 1 7 3 122.36 113.25 21.49 o 2 7 3 236.16 196.87 30.89 o 3 7 3 180.34 133.09 38.12 o 4 7 3 74.62 121.25 36.08 o 5 7 3 49.37 34.90 34.02 o 6 7 3 86.62 74.44 44.93 o 0 8 3 36.70 -3.08 38.93 o 1 8 3 354.76 320.61 25.25 o 2 8 3 181.37 209.04 25.42 o 3 8 3 194.02 181.85 29.13 o 4 8 3 44.92 -19.90 61.32 o 0 9 3 161.33 175.80 36.52 o 1 9 3 14.76 26.55 30.51 o 2 9 3 369.15 372.43 32.57 o 0 0 4 464.41 438.80 28.26 o 0 1 4 76.65 96.13 15.19 o 1 1 4 555.30 599.53 15.97 o 0 2 4 7.12 33.18 20.78 o 1 2 4 400.13 398.62 19.43 o 2 2 4 3.86 19.48 31.46 o 0 3 4 7.13 29.22 27.54 o 1 3 4 262.23 267.40 14.41 o 2 3 4 164.13 137.10 21.64 o 3 3 4 106.48 103.15 42.32 o 0 4 4 189.24 164.57 29.22 o 1 4 4 112.60 123.85 15.30 o 2 4 4 0.20 -9.17 25.46 o 3 4 4 29.39 8.41 29.00 o 4 4 4 75.44 95.81 39.12 o 0 5 4 125.51 101.36 32.85 o 1 5 4 482.26 500.37 22.50 o 2 5 4 368.09 316.46 25.98 o 3 5 4 270.96 257.64 24.90 o 4 5 4 149.42 164.55 61.96 o 5 5 4 436.08 419.00 41.04 o 0 6 4 30.58 2.20 32.56 o 1 6 4 125.07 143.43 22.52 o 2 6 4 1.57 -10.40 34.17 o 3 6 4 47.16 -1.88 45.75 o 4 6 4 7.87 32.82 68.18 o 5 6 4 157.04 186.61 28.15 o 6 6 4 6.61 7.66 58.76 o 0 7 4 4.69 65.26 63.87 o 1 7 4 121.02 58.22 28.74 o 2 7 4 78.44 76.03 39.23 o 3 7 4 50.58 98.79 40.02 o 4 7 4 15.85 -93.89 58.28 o 0 8 4 12.53 49.43 75.69 o 1 8 4 145.19 188.82 33.40 o 2 8 4 17.78 71.11 42.37 o 0 0 5 4.67 13.73 40.88 o 0 1 5 55.55 81.56 20.31 o 1 1 5 961.46 1017.34 26.18 o 0 2 5 17.53 -2.41 27.32 o 1 2 5 1.03 28.87 17.28 o 2 2 5 319.23 336.13 36.41 o 0 3 5 107.09 86.13 45.51 o 1 3 5 551.49 543.17 20.66 o 2 3 5 18.29 -31.33 32.56 o 3 3 5 293.23 263.95 35.29 o 0 4 5 1.16 -8.42 33.37 o 1 4 5 25.88 17.02 26.60 o 2 4 5 43.11 -25.52 38.88 o 3 4 5 60.29 88.27 40.38 o 4 4 5 9.79 12.93 55.57 o 0 5 5 18.40 43.16 34.69 o 1 5 5 811.46 839.48 26.22 o 2 5 5 0.78 -66.14 39.98 o 3 5 5 511.61 515.01 45.91 o 4 5 5 7.57 21.51 48.54 o 5 5 5 727.40 495.01 58.92 o 0 6 5 0.65 13.04 31.25 o 1 6 5 14.16 15.42 25.82 o 2 6 5 103.57 85.03 30.69 o 3 6 5 37.76 58.66 42.39 o 4 6 5 8.50 75.14 37.04 o 0 7 5 77.77 37.79 69.94 o 1 7 5 265.24 241.80 23.14 o 2 7 5 19.48 -15.69 43.68 o 0 0 6 81.45 112.10 50.46 o 0 1 6 24.47 19.78 22.67 o 1 1 6 504.87 513.25 29.10 o 0 2 6 69.32 101.43 39.26 o 1 2 6 18.01 49.19 21.34 o 2 2 6 6.46 -12.61 57.49 o 0 3 6 85.36 123.10 27.77 o 1 3 6 527.86 518.42 23.58 o 2 3 6 0.23 36.47 32.23 o 3 3 6 548.96 634.57 51.90 o 0 4 6 60.44 53.80 36.19 o 1 4 6 3.67 12.83 24.73 o 2 4 6 46.22 59.08 48.94 o 3 4 6 35.23 47.08 28.37 o 0 5 6 0.51 12.98 38.38 o 1 5 6 322.50 308.54 22.81 o 2 5 6 48.09 -14.45 82.24 o 0 0 7 101.97 125.03 67.07 o 0 1 7 47.80 59.11 28.10 o 1 1 7 137.05 106.34 32.96 o 0 2 7 0.59 20.63 43.91 o 1 2 7 32.21 41.37 31.83 o