#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/14/2011468.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_2011468_Fobs
loop_
_publ_author_name
'Harrison, William T. A.'
_publ_section_title
;
 Caesium vanadium selenite, Cs(VO~2~)~3~(SeO~3~)~2~
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e422
_journal_volume                  56
_journal_year                    2000
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   7.1613
_cell_length_b                   7.1613
_cell_length_c                   11.6184
_exptl_crystal_F_000             576.00
_reflns_d_resolution_high        0.7107
_[local]_cod_data_source_file    qd0027Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Cs(VO2)3(SeO3)2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            253.80
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, 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
0 0 -16 235.06 231.78 74.09 o
0 1 -16 286.39 337.61 28.31 o
-1 2 -16 711.38 745.28 53.77 o
0 1 -15 1106.34 1197.54 41.18 o
-1 2 -15 130.58 164.45 24.35 o
0 2 -15 2334.53 2488.02 76.65 o
-2 3 -15 761.10 758.73 47.86 o
-1 3 -15 775.48 873.79 51.85 o
0 3 -15 93.24 96.96 29.87 o
0 0 -14 2896.55 2988.84 154.87 o
0 1 -14 705.42 761.29 28.87 o
-1 2 -14 382.26 415.33 26.06 o
0 2 -14 159.14 177.98 23.64 o
-2 3 -14 1058.90 1093.85 47.62 o
-1 3 -14 197.41 207.54 28.56 o
0 3 -14 662.54 680.48 44.26 o
-3 4 -14 1564.29 1597.45 72.42 o
-2 4 -14 1796.40 1831.68 70.57 o
-1 4 -14 121.67 107.94 30.02 o
0 4 -14 76.22 61.12 29.33 o
-3 5 -14 556.43 508.47 90.40 o
-2 5 -14 193.12 180.29 43.25 o
0 1 -13 3229.34 3435.62 56.76 o
-1 2 -13 147.45 142.61 18.19 o
0 2 -13 563.89 558.85 27.00 o
-2 3 -13 2523.61 2551.41 64.61 o
-1 3 -13 3606.11 3705.80 73.53 o
0 3 -13 98.55 114.04 25.87 o
-3 4 -13 1089.78 1053.35 51.52 o
-2 4 -13 13.27 17.94 22.99 o
-1 4 -13 2697.32 2804.52 81.68 o
0 4 -13 470.77 499.08 40.51 o
-4 5 -13 220.98 222.56 36.55 o
-3 5 -13 1018.04 1007.59 55.21 o
-2 5 -13 1458.93 1509.13 73.65 o
-1 5 -13 302.14 290.13 36.29 o
0 5 -13 1338.41 1404.10 87.71 o
-4 6 -13 652.86 795.04 110.78 o
-3 6 -13 607.05 625.46 80.33 o
-2 6 -13 439.01 371.88 66.48 o
0 0 -12 1154.83 1199.69 88.80 o
0 1 -12 690.42 648.99 22.89 o
-1 2 -12 3373.88 3305.35 63.20 o
0 2 -12 1213.49 1233.68 34.15 o
-2 3 -12 295.82 293.98 22.61 o
-1 3 -12 190.28 171.50 20.77 o
0 3 -12 2080.41 2085.20 65.09 o
-3 4 -12 494.52 489.73 34.32 o
-2 4 -12 698.00 671.19 41.60 o
-1 4 -12 832.12 750.06 60.07 o
0 4 -12 394.78 388.03 44.68 o
-4 5 -12 1565.92 1634.00 73.33 o
-3 5 -12 625.04 575.10 43.24 o
-2 5 -12 986.45 948.71 57.49 o
-1 5 -12 1924.53 1984.74 71.80 o
0 5 -12 81.12 87.97 32.86 o
-5 6 -12 543.48 552.73 50.56 o
-4 6 -12 581.29 572.50 50.61 o
-3 6 -12 2061.01 1962.43 83.10 o
-2 6 -12 338.89 273.12 43.89 o
-1 6 -12 365.36 403.36 47.44 o
0 1 -11 1689.58 1713.92 32.84 o
-1 2 -11 286.30 316.44 18.92 o
0 2 -11 7956.54 7948.22 120.24 o
-2 3 -11 1793.08 1769.35 57.22 o
-1 3 -11 709.20 719.97 32.16 o
0 3 -11 14.97 19.85 17.59 o
-3 4 -11 1970.26 1935.19 65.97 o
-2 4 -11 5.81 6.82 16.78 o
-1 4 -11 314.01 316.45 31.03 o
0 4 -11 3930.00 3943.90 131.03 o
-4 5 -11 396.27 397.55 36.10 o
-3 5 -11 2305.13 2214.83 71.01 o
-2 5 -11 1446.10 1473.45 68.15 o
-1 5 -11 419.31 459.89 38.45 o
0 5 -11 1560.83 1676.59 71.73 o
-5 6 -11 87.10 56.70 28.95 o
-4 6 -11 2024.84 2137.42 75.88 o
-3 6 -11 864.94 870.06 56.56 o
-2 6 -11 2448.59 2320.02 93.89 o
-1 6 -11 1304.83 1286.37 70.76 o
0 6 -11 4.03 21.02 28.88 o
-5 7 -11 26.71 50.36 42.37 o
-4 7 -11 1409.60 1402.78 75.73 o
-3 7 -11 599.10 562.00 53.20 o
-2 7 -11 19.65 50.03 36.84 o
0 0 -10 6432.14 7014.27 152.11 o
0 1 -10 546.39 554.37 19.60 o
-1 2 -10 1803.54 1763.55 33.03 o
0 2 -10 2332.13 2323.29 38.04 o
-2 3 -10 1562.10 1471.20 38.20 o
-1 3 -10 1663.27 1569.11 54.51 o
0 3 -10 3080.38 3220.20 60.14 o
-3 4 -10 1799.56 1889.35 84.62 o
-2 4 -10 4977.37 5119.21 88.87 o
-1 4 -10 1358.89 1397.32 63.76 o
0 4 -10 1468.71 1564.76 64.78 o
-4 5 -10 1289.39 1255.60 62.16 o
-3 5 -10 166.67 171.01 27.08 o
-2 5 -10 766.82 751.15 47.98 o
-1 5 -10 987.06 973.33 48.32 o
0 5 -10 1045.67 1001.62 49.86 o
-5 6 -10 1116.60 1216.24 63.26 o
-4 6 -10 737.60 717.25 45.97 o
-3 6 -10 460.47 438.33 43.48 o
-2 6 -10 635.86 638.04 49.67 o
-1 6 -10 1636.58 1709.17 76.05 o
0 6 -10 2181.66 2226.57 100.80 o
-6 7 -10 687.19 733.49 68.87 o
-5 7 -10 2337.73 2225.48 93.19 o
-4 7 -10 472.24 440.43 46.77 o
-3 7 -10 858.62 841.30 71.92 o
-2 7 -10 2352.01 2229.83 91.78 o
-1 7 -10 732.88 792.37 62.49 o
0 1 -9 3800.56 3799.70 45.73 o
-1 2 -9 523.20 537.08 19.39 o
0 2 -9 2200.48 2237.33 36.07 o
-2 3 -9 2465.39 2486.70 45.71 o
-1 3 -9 4719.55 4868.09 101.46 o
0 3 -9 780.08 783.33 29.95 o
-3 4 -9 2744.68 2687.17 60.48 o
-2 4 -9 1.75 4.19 15.74 o
-1 4 -9 6588.90 6593.76 196.26 o
0 4 -9 1052.97 1095.79 60.72 o
-4 5 -9 624.87 675.82 36.55 o
-3 5 -9 918.68 929.26 43.74 o
-2 5 -9 1628.83 1570.97 64.92 o
-1 5 -9 840.10 801.45 43.12 o
0 5 -9 774.29 802.93 44.73 o
-5 6 -9 4853.02 4777.15 112.88 o
-4 6 -9 647.11 581.43 40.35 o
-3 6 -9 1205.42 1215.74 61.38 o
-2 6 -9 657.45 656.02 47.41 o
-1 6 -9 1757.01 1772.05 75.24 o
0 6 -9 184.15 166.73 37.25 o
-6 7 -9 2035.18 2048.60 102.12 o
-5 7 -9 178.13 156.24 38.28 o
-4 7 -9 485.43 482.41 46.16 o
-3 7 -9 1316.46 1232.08 66.82 o
-2 7 -9 140.69 105.13 34.60 o
-1 7 -9 928.17 886.64 61.03 o
0 7 -9 233.12 236.89 44.15 o
-5 8 -9 1442.94 1361.56 94.72 o
-4 8 -9 69.12 42.17 50.06 o
-3 8 -9 3787.49 3688.98 155.02 o
-2 8 -9 592.05 580.42 63.03 o
0 0 -8 385.05 407.78 67.42 o
0 1 -8 5370.09 5351.21 67.70 o
-1 2 -8 4660.31 4678.67 46.95 o
0 2 -8 1497.97 1511.62 28.32 o
-2 3 -8 6394.90 6273.39 61.46 o
-1 3 -8 4799.48 4728.37 118.44 o
0 3 -8 2094.91 2095.86 43.53 o
-3 4 -8 6140.46 5881.37 90.67 o
-2 4 -8 0.75 0.82 16.78 o
-1 4 -8 1813.24 1817.59 59.20 o
0 4 -8 2146.71 2113.10 57.16 o
-4 5 -8 1895.89 1783.33 52.51 o
-3 5 -8 3126.43 3259.68 152.49 o
-2 5 -8 2073.60 2230.81 115.21 o
-1 5 -8 1925.63 1949.24 60.13 o
0 5 -8 3026.65 2900.73 67.38 o
-5 6 -8 1137.67 1147.93 47.88 o
-4 6 -8 1483.13 1463.67 56.07 o
-3 6 -8 2696.44 2680.21 84.78 o
-2 6 -8 1744.36 1729.25 86.42 o
-1 6 -8 3815.45 3756.91 101.73 o
0 6 -8 231.80 214.29 36.94 o
-6 7 -8 949.70 993.84 70.64 o
-5 7 -8 117.27 89.55 33.00 o
-4 7 -8 2074.02 1896.70 100.84 o
-3 7 -8 1625.43 1556.96 84.66 o
-2 7 -8 94.86 92.96 32.09 o
-1 7 -8 2626.22 2405.57 90.47 o
0 7 -8 989.83 1022.32 65.44 o
-7 8 -8 1040.86 1031.98 142.63 o
-6 8 -8 1691.62 1585.39 161.05 o
-5 8 -8 2981.54 2680.38 124.14 o
-4 8 -8 350.28 354.46 60.15 o
-3 8 -8 421.99 365.78 57.92 o
-2 8 -8 1240.40 1196.80 129.89 o
-1 8 -8 1047.41 850.00 112.94 o
0 1 -7 4041.02 4209.67 49.19 o
-1 2 -7 581.44 606.56 18.71 o
0 2 -7 9355.38 9175.17 104.30 o
-2 3 -7 3438.30 3562.72 44.32 o
-1 3 -7 3076.68 3123.10 45.87 o
0 3 -7 1551.63 1524.22 38.79 o
-3 4 -7 1970.04 1942.24 48.56 o
-2 4 -7 29.52 32.78 17.78 o
-1 4 -7 2397.52 2402.62 45.17 o
0 4 -7 3671.83 3568.08 66.37 o
-4 5 -7 766.04 821.98 37.16 o
-3 5 -7 1843.41 1914.60 50.28 o
-2 5 -7 1868.43 1820.42 67.85 o
-1 5 -7 971.65 962.04 42.83 o
0 5 -7 1997.38 1877.96 55.97 o
-5 6 -7 998.00 1025.02 44.64 o
-4 6 -7 1577.33 1438.13 53.62 o
-3 6 -7 1550.45 1624.27 78.24 o
-2 6 -7 1910.01 1937.92 102.58 o
-1 6 -7 1423.95 1370.86 62.41 o
0 6 -7 294.31 259.64 36.41 o
-6 7 -7 1022.50 992.04 61.53 o
-5 7 -7 213.02 232.46 48.69 o
-4 7 -7 1446.41 1372.31 83.37 o
-3 7 -7 958.61 911.80 55.30 o
-2 7 -7 169.47 92.94 30.45 o
-1 7 -7 811.24 779.08 54.49 o
0 7 -7 1315.94 1317.74 69.38 o
-7 8 -7 612.26 623.99 80.31 o
-6 8 -7 785.96 780.00 91.60 o
-5 8 -7 674.90 712.42 73.60 o
-4 8 -7 281.28 315.45 56.38 o
-3 8 -7 747.90 752.22 70.86 o
-2 8 -7 817.70 716.33 103.05 o
-1 8 -7 600.42 646.98 70.58 o
-5 9 -7 932.20 918.41 101.33 o
-4 9 -7 697.65 623.18 89.87 o
0 0 -6 29644.21 30844.79 546.63 o
0 1 -6 4026.43 4035.36 35.67 o
-1 2 -6 3025.97 3049.44 39.10 o
0 2 -6 16328.80 16316.24 156.57 o
-2 3 -6 7048.83 6975.88 124.40 o
-1 3 -6 8288.10 8412.17 117.78 o
0 3 -6 2018.65 2041.60 39.67 o
-3 4 -6 5444.90 5299.09 74.62 o
-2 4 -6 5711.19 5731.20 80.82 o
-1 4 -6 7236.18 7095.29 90.22 o
0 4 -6 7621.83 7318.96 91.52 o
-4 5 -6 885.82 926.58 37.68 o
-3 5 -6 1807.54 1821.18 72.85 o
-2 5 -6 2453.45 2428.62 98.30 o
-1 5 -6 1389.51 1307.28 47.85 o
0 5 -6 4487.26 4394.45 121.07 o
-5 6 -6 5814.85 5509.93 92.08 o
-4 6 -6 3867.38 3885.87 104.27 o
-3 6 -6 1041.66 1079.70 53.49 o
-2 6 -6 2485.21 2547.97 79.42 o
-1 6 -6 3892.85 3645.18 109.17 o
0 6 -6 572.03 529.33 40.70 o
-6 7 -6 3099.60 2849.48 153.08 o
-5 7 -6 546.21 540.59 57.39 o
-4 7 -6 2206.46 2167.55 99.91 o
-3 7 -6 2997.57 2958.97 95.41 o
-2 7 -6 616.02 601.37 45.77 o
-1 7 -6 2108.81 1976.03 79.60 o
0 7 -6 1735.82 1806.75 110.95 o
-7 8 -6 548.68 663.43 82.75 o
-6 8 -6 1584.92 1498.01 115.15 o
-5 8 -6 2928.97 2989.18 180.57 o
-4 8 -6 397.53 425.12 55.93 o
-3 8 -6 4030.31 3954.68 206.51 o
-2 8 -6 2336.19 2276.36 242.01 o
-1 8 -6 283.83 298.42 58.13 o
0 8 -6 522.54 544.50 69.90 o
-6 9 -6 235.44 222.79 65.98 o
-5 9 -6 1341.70 1353.08 96.52 o
-4 9 -6 1527.01 1655.37 149.94 o
-3 9 -6 302.69 216.49 83.83 o
0 1 -5 932.92 929.53 16.57 o
-1 2 -5 1028.45 1027.38 21.04 o
0 2 -5 11125.50 10802.63 187.63 o
-2 3 -5 3814.98 3928.30 83.13 o
-1 3 -5 2711.72 2671.24 38.77 o
0 3 -5 33.71 38.32 11.54 o
-3 4 -5 1311.68 1347.06 38.09 o
-2 4 -5 14.78 33.77 13.86 o
-1 4 -5 2403.86 2507.81 55.37 o
0 4 -5 4953.69 4899.29 90.25 o
-4 5 -5 1025.27 948.35 47.35 o
-3 5 -5 390.26 391.64 26.71 o
-2 5 -5 363.31 346.05 28.89 o
-1 5 -5 1043.62 964.11 42.33 o
0 5 -5 2740.23 2658.47 59.95 o
-5 6 -5 1492.91 1388.79 53.98 o
-4 6 -5 990.76 1013.68 54.34 o
-3 6 -5 2013.63 1863.43 83.95 o
-2 6 -5 1617.24 1556.30 61.13 o
-1 6 -5 1487.50 1377.70 68.25 o
0 6 -5 3.44 7.00 23.56 o
-6 7 -5 851.02 780.42 48.60 o
-5 7 -5 58.66 62.28 35.90 o
-4 7 -5 1285.60 1206.57 77.00 o
-3 7 -5 676.38 625.40 63.15 o
-2 7 -5 46.95 27.99 26.70 o
-1 7 -5 646.34 612.58 48.97 o
0 7 -5 891.74 927.58 73.70 o
-7 8 -5 670.08 584.95 65.73 o
-6 8 -5 939.33 879.03 74.42 o
-5 8 -5 696.96 796.24 110.30 o
-4 8 -5 192.13 200.82 46.47 o
-3 8 -5 1403.87 1402.94 98.98 o
-2 8 -5 604.84 645.11 101.08 o
-1 8 -5 582.07 543.83 64.27 o
0 8 -5 68.31 89.21 51.31 o
-7 9 -5 1155.34 1152.59 90.84 o
-6 9 -5 91.30 105.34 51.15 o
-5 9 -5 802.79 765.92 77.12 o
-4 9 -5 608.75 663.00 106.59 o
-3 9 -5 113.32 129.59 78.59 o
-2 9 -5 1070.64 1250.13 198.91 o
0 0 -4 43277.76 43123.23 1962.39 o
0 1 -4 17072.54 17624.95 206.19 o
-1 2 -4 7550.51 7623.04 68.04 o
0 2 -4 4699.45 4431.85 74.21 o
-2 3 -4 5728.72 5691.21 99.18 o
-1 3 -4 3833.76 3861.04 136.01 o
0 3 -4 7483.03 7343.74 118.34 o
-3 4 -4 11500.80 11020.92 274.57 o
-2 4 -4 17598.02 17770.03 246.99 o
-1 4 -4 5474.90 5514.75 100.95 o
0 4 -4 2968.17 2849.45 100.63 o
-4 5 -4 4802.76 4674.71 89.39 o
-3 5 -4 8888.63 8698.40 173.73 o
-2 5 -4 8443.50 8531.36 247.44 o
-1 5 -4 3426.32 3261.11 122.79 o
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-5 6 -4 1920.27 1811.84 61.48 o
-4 6 -4 3782.38 3735.09 76.68 o
-3 6 -4 2568.14 2612.02 106.08 o
-2 6 -4 3953.07 3807.46 121.22 o
-1 6 -4 6359.08 5824.84 302.91 o
0 6 -4 4663.40 4185.47 122.00 o
-6 7 -4 1806.15 1858.86 82.68 o
-5 7 -4 4642.72 4456.57 136.05 o
-4 7 -4 2664.10 2717.20 107.47 o
-3 7 -4 2335.28 2317.96 126.66 o
-2 7 -4 4643.33 4757.16 266.01 o
-1 7 -4 3061.74 3157.85 134.46 o
0 7 -4 2314.16 2448.02 98.71 o
-7 8 -4 868.14 994.81 97.14 o
-6 8 -4 1143.37 1104.70 79.76 o
-5 8 -4 4454.44 4474.06 145.89 o
-4 8 -4 2645.66 2632.59 161.46 o
-3 8 -4 1065.99 1254.02 127.22 o
-2 8 -4 1015.85 1113.04 114.13 o
-1 8 -4 1480.10 1753.99 149.08 o
0 8 -4 2260.61 2178.97 139.78 o
-7 9 -4 1044.43 1022.98 85.23 o
-6 9 -4 1746.72 1818.06 176.44 o
-5 9 -4 1232.40 1456.00 137.80 o
-4 9 -4 1173.39 1193.17 125.62 o
-3 9 -4 1481.53 1934.73 163.74 o
-2 9 -4 855.89 938.26 119.67 o
0 1 -3 3692.10 3792.91 46.93 o
-1 2 -3 1953.74 2029.71 35.57 o
0 2 -3 468.66 643.17 19.80 o
-2 3 -3 306.86 342.72 15.69 o
-1 3 -3 1901.63 1848.10 30.61 o
0 3 -3 794.77 813.10 26.15 o
-3 4 -3 2533.12 2542.44 70.12 o
-2 4 -3 1.39 6.86 13.00 o
-1 4 -3 10214.66 9799.14 222.94 o
0 4 -3 129.72 155.98 18.09 o
-4 5 -3 1495.43 1483.80 41.50 o
-3 5 -3 429.01 463.18 27.35 o
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0 5 -3 498.06 451.65 39.74 o
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-3 6 -3 2489.39 2550.68 71.17 o
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-1 6 -3 1192.72 1112.54 48.59 o
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-4 7 -3 113.48 174.62 42.43 o
-3 7 -3 379.26 411.40 58.88 o
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-1 7 -3 283.82 304.88 42.21 o
0 7 -3 66.80 112.16 37.76 o
-7 8 -3 581.05 564.18 59.44 o
-6 8 -3 67.66 80.35 39.48 o
-5 8 -3 1221.80 1119.17 80.67 o
-4 8 -3 44.36 37.43 39.09 o
-3 8 -3 4830.89 5449.64 549.05 o
-2 8 -3 92.20 121.58 64.03 o
-1 8 -3 540.99 690.82 93.31 o
0 8 -3 314.44 350.95 83.68 o
-8 9 -3 222.37 184.49 55.68 o
-7 9 -3 126.03 66.27 50.39 o
-6 9 -3 135.91 147.05 74.45 o
-5 9 -3 146.15 201.47 79.99 o
-4 9 -3 28.92 34.33 69.78 o
-3 9 -3 152.20 138.90 72.52 o
-2 9 -3 209.35 346.87 88.50 o
-1 9 -3 702.40 898.67 174.22 o
0 0 -2 6040.27 6776.23 78.00 o
0 1 -2 6323.38 6614.63 169.59 o
-1 2 -2 48963.25 48677.88 430.28 o
0 2 -2 5885.90 5977.57 57.51 o
-2 3 -2 1742.00 1542.13 34.06 o
-1 3 -2 1985.70 1984.37 85.20 o
0 3 -2 29083.26 29347.14 736.19 o
-3 4 -2 7807.00 7403.90 217.51 o
-2 4 -2 6275.61 6214.36 106.48 o
-1 4 -2 3349.46 3252.94 78.27 o
0 4 -2 2045.27 1972.83 46.74 o
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-3 5 -2 3073.46 3022.81 100.26 o
-2 5 -2 2899.87 2906.47 93.54 o
-1 5 -2 17186.08 17599.13 356.86 o
0 5 -2 972.43 1005.94 45.27 o
-5 6 -2 1607.95 1610.68 94.87 o
-4 6 -2 1762.09 1890.62 74.10 o
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