#------------------------------------------------------------------------------
#$Date: 2017-07-25 12:07:25 +0300 (Tue, 25 Jul 2017) $
#$Revision: 199092 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/08/2020805.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_2020805
_cell_angle_alpha                108.361
_cell_angle_beta                 99.075
_cell_angle_gamma                106.629
_cell_length_a                   5.5561
_cell_length_b                   5.9229
_cell_length_c                   7.2242
_exptl_crystal_F_000             186.00
_reflns_d_resolution_high        0.7966
_cod_data_source_file            ku3198Mg_SeO4_Na2_SeO4_2H2Osup3.hkl
_cod_data_source_block           Mg_SeO4_Na2_SeO4_2H2O
_shelx_title                     ' '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            77.68
_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 0 634.57 627.36 15.05 o
2 0 0 437.90 401.10 9.96 o
3 0 0 5051.55 4842.69 42.91 o
4 0 0 894.83 895.00 18.44 o
5 0 0 160.32 185.64 6.19 o
6 0 0 599.31 607.39 15.81 o
-6 1 0 164.24 175.66 12.05 o
-5 1 0 1930.96 1947.51 17.52 o
-4 1 0 497.89 455.86 6.82 o
-3 1 0 578.76 558.14 13.59 o
-2 1 0 4599.52 4579.83 13.95 o
-1 1 0 505.98 466.64 10.22 o
0 1 0 655.93 631.98 123.63 o
1 1 0 6033.76 6694.35 72.99 o
2 1 0 32.61 29.31 9.08 o
3 1 0 76.15 93.78 15.61 o
4 1 0 1743.21 1783.27 21.94 o
5 1 0 248.60 249.02 7.01 o
6 1 0 27.93 23.41 5.34 o
-6 2 0 112.17 110.27 5.66 o
-5 2 0 313.30 317.09 6.51 o
-4 2 0 2509.75 2477.89 18.80 o
-3 2 0 296.26 286.60 6.17 o
-2 2 0 10.71 13.11 6.84 o
-1 2 0 5098.44 4776.45 162.28 o
0 2 0 1684.88 1717.44 49.41 o
1 2 0 79.22 88.12 10.10 o
2 2 0 2060.86 2091.79 31.27 o
3 2 0 715.19 709.20 15.58 o
4 2 0 15.30 24.44 7.25 o
5 2 0 658.09 646.94 7.72 o
-6 3 0 347.93 355.63 5.67 o
-5 3 0 406.00 393.45 7.49 o
-4 3 0 98.62 105.65 5.12 o
-3 3 0 1220.50 1155.20 17.45 o
-2 3 0 329.28 333.04 10.77 o
-1 3 0 7.56 -0.72 10.55 o
0 3 0 3794.30 3726.94 82.77 o
1 3 0 102.76 106.72 9.17 o
2 3 0 65.43 66.08 8.50 o
3 3 0 1458.68 1489.60 60.86 o
4 3 0 161.07 136.83 13.60 o
-6 4 0 94.64 82.68 5.21 o
-5 4 0 1120.10 1137.12 28.10 o
-4 4 0 606.91 594.11 11.72 o
-3 4 0 350.27 333.01 9.52 o
-2 4 0 1540.75 1573.48 18.95 o
-1 4 0 445.42 489.09 25.76 o
0 4 0 80.35 88.05 5.87 o
1 4 0 1383.67 1435.41 41.79 o
2 4 0 26.05 15.37 6.03 o
3 4 0 24.96 14.54 11.86 o
-6 5 0 22.60 21.84 7.11 o
-5 5 0 166.46 176.88 5.08 o
-4 5 0 912.86 857.41 40.33 o
-3 5 0 16.80 21.54 4.63 o
-2 5 0 167.37 171.17 4.63 o
-1 5 0 1047.65 1075.00 38.64 o
0 5 0 147.40 158.28 8.13 o
1 5 0 59.53 54.79 5.32 o
2 5 0 637.64 614.05 29.63 o
-5 6 0 170.17 152.82 16.06 o
-4 6 0 72.21 63.99 4.42 o
-3 6 0 474.83 487.90 11.43 o
-2 6 0 231.73 246.94 12.79 o
-1 6 0 18.41 12.02 6.18 o
0 6 0 596.03 652.65 51.95 o
1 6 0 105.91 100.29 8.96 o
-3 7 0 86.67 98.95 5.03 o
-2 7 0 333.33 247.40 113.65 o
1 -7 1 306.44 197.65 88.56 o
2 -7 1 6.53 10.89 5.46 o
3 -7 1 207.03 233.07 12.34 o
4 -7 1 193.61 198.61 41.75 o
-1 -6 1 280.86 248.85 5.94 o
0 -6 1 0.32 -0.83 5.66 o
1 -6 1 587.63 666.23 39.61 o
2 -6 1 356.43 410.33 21.54 o
3 -6 1 119.46 120.24 4.17 o
4 -6 1 389.99 332.71 13.00 o
5 -6 1 403.21 393.19 18.26 o
-3 -5 1 181.01 145.29 39.26 o
-2 -5 1 36.51 39.34 4.73 o
-1 -5 1 155.93 172.12 11.97 o
0 -5 1 784.03 853.08 35.13 o
1 -5 1 121.49 123.15 12.77 o
2 -5 1 268.01 306.28 7.61 o
3 -5 1 671.63 679.68 20.88 o
4 -5 1 394.89 401.02 16.30 o
5 -5 1 493.80 525.97 23.22 o
6 -5 1 319.57 298.94 22.55 o
-4 -4 1 32.32 16.64 5.43 o
-3 -4 1 628.87 653.17 37.45 o
-2 -4 1 626.64 641.05 7.09 o
-1 -4 1 337.39 339.87 10.11 o
0 -4 1 876.60 891.31 9.33 o
1 -4 1 2170.90 2366.50 71.65 o
2 -4 1 270.13 279.50 6.25 o
3 -4 1 274.76 277.69 15.80 o
4 -4 1 1124.39 1133.84 26.33 o
5 -4 1 254.39 257.73 6.65 o
6 -4 1 195.15 197.99 8.65 o
-5 -3 1 278.33 263.44 7.28 o
-4 -3 1 312.07 327.64 7.16 o
-3 -3 1 372.31 410.46 20.19 o
-2 -3 1 373.25 375.14 9.13 o
-1 -3 1 424.14 416.09 10.54 o
0 -3 1 94.09 69.02 19.15 o
1 -3 1 537.89 509.14 7.10 o
2 -3 1 212.75 194.14 5.74 o
3 -3 1 76.44 71.85 5.80 o
4 -3 1 298.34 291.24 5.24 o
5 -3 1 359.52 365.47 10.78 o
6 -3 1 81.16 91.07 5.00 o
-5 -2 1 25.65 18.79 6.42 o
-4 -2 1 874.16 854.41 22.84 o
-3 -2 1 348.87 403.65 12.30 o
-2 -2 1 106.57 121.09 8.49 o
-1 -2 1 126.01 98.22 7.48 o
0 -2 1 1610.93 1290.94 33.93 o
1 -2 1 193.35 184.86 8.00 o
2 -2 1 9.70 10.84 5.76 o
3 -2 1 481.55 462.57 7.46 o
4 -2 1 445.41 476.62 51.89 o
5 -2 1 231.01 238.15 7.77 o
6 -2 1 170.71 177.75 7.42 o
-6 -1 1 170.30 155.95 9.12 o
-5 -1 1 32.85 37.14 6.20 o
-4 -1 1 74.79 74.43 7.93 o
-3 -1 1 1038.50 1007.67 17.93 o
-2 -1 1 22.92 32.43 10.58 o
-1 -1 1 180.79 172.74 10.39 o
0 -1 1 2138.63 2059.62 84.60 o
1 -1 1 1957.01 1931.06 14.98 o
2 -1 1 216.08 236.43 8.51 o
3 -1 1 839.75 795.34 22.03 o
4 -1 1 1123.35 1093.31 10.15 o
5 -1 1 18.47 12.53 6.47 o
6 -1 1 462.86 473.35 9.39 o
-6 0 1 2.72 -2.89 11.31 o
-5 0 1 963.20 965.10 10.15 o
-4 0 1 605.55 603.34 21.28 o
-3 0 1 29.22 28.12 13.60 o
-2 0 1 2922.38 2893.76 14.30 o
-1 0 1 1194.96 1158.42 13.81 o
1 0 1 2793.76 2939.22 33.73 o
2 0 1 363.33 317.73 9.96 o
3 0 1 0.67 -1.64 7.73 o
4 0 1 320.22 325.64 6.21 o
5 0 1 315.83 318.25 17.34 o
6 0 1 2.48 -2.63 5.07 o
-6 1 1 54.21 47.57 8.33 o
-5 1 1 0.51 1.95 6.12 o
-4 1 1 2334.79 2286.37 25.16 o
-3 1 1 41.28 32.67 7.23 o
-2 1 1 146.89 152.19 8.25 o
-1 1 1 2840.36 2898.71 92.93 o
0 1 1 1304.20 1994.54 72.84 o
1 1 1 1.85 14.74 10.04 o
2 1 1 935.74 920.08 11.05 o
3 1 1 721.54 809.59 32.05 o
4 1 1 209.99 190.89 17.87 o
5 1 1 237.04 226.03 10.26 o
-6 2 1 480.00 499.84 7.40 o
-5 2 1 230.86 247.59 6.16 o
-4 2 1 209.59 491.13 62.90 o
-3 2 1 1410.82 1367.17 12.25 o
-2 2 1 36.71 36.88 6.27 o
-1 2 1 1378.78 1442.92 65.71 o
0 2 1 683.82 703.72 34.06 o
1 2 1 594.11 597.68 10.27 o
2 2 1 39.49 49.22 11.47 o
3 2 1 401.12 417.48 10.46 o
4 2 1 421.04 403.99 7.98 o
5 2 1 6.46 -8.20 5.47 o
-6 3 1 0.42 9.50 4.78 o
-5 3 1 614.80 628.94 5.79 o
-4 3 1 445.99 423.41 8.50 o
-3 3 1 11.00 17.91 6.02 o
-2 3 1 1945.44 1915.91 19.12 o
-1 3 1 404.38 401.69 26.86 o
0 3 1 187.66 149.81 11.67 o
1 3 1 1530.39 1587.88 130.11 o
2 3 1 294.03 272.36 9.71 o
3 3 1 136.45 124.12 63.04 o
4 3 1 154.16 153.56 6.53 o
-6 4 1 107.61 101.83 7.26 o
-5 4 1 4.84 -3.46 4.92 o
-4 4 1 1017.87 1052.00 6.94 o
-3 4 1 44.23 57.01 5.82 o
-2 4 1 30.71 24.97 7.31 o
-1 4 1 722.34 713.29 8.53 o
0 4 1 38.03 56.74 9.75 o
1 4 1 18.92 14.90 6.71 o
2 4 1 429.28 456.46 18.85 o
3 4 1 59.49 62.64 8.38 o
-6 5 1 369.48 292.49 19.33 o
-5 5 1 78.19 90.73 5.24 o
-4 5 1 39.32 27.39 9.23 o
-3 5 1 989.60 1019.51 68.34 o
-2 5 1 48.96 56.20 6.56 o
-1 5 1 27.95 45.12 6.55 o
0 5 1 582.83 569.60 8.61 o
1 5 1 195.21 225.62 6.25 o
2 5 1 12.19 5.80 4.28 o
-5 6 1 241.41 252.87 9.60 o
-4 6 1 203.83 169.92 14.54 o
-3 6 1 7.27 10.43 7.07 o
-2 6 1 583.76 587.02 13.29 o
-1 6 1 196.37 199.05 13.09 o
0 6 1 8.20 6.25 11.63 o
0 -7 2 62.50 50.40 21.22 o
1 -7 2 289.12 300.17 23.74 o
2 -7 2 113.31 114.84 4.90 o
3 -7 2 37.77 37.54 4.03 o
4 -7 2 144.68 120.64 8.76 o
-2 -6 2 16.98 20.14 4.77 o
-1 -6 2 159.50 166.09 5.07 o
0 -6 2 268.54 261.61 7.15 o
1 -6 2 202.07 243.06 16.14 o
2 -6 2 326.15 340.99 14.02 o
3 -6 2 114.38 109.87 8.61 o
4 -6 2 351.03 312.52 19.05 o
5 -6 2 127.40 100.04 14.88 o
-3 -5 2 223.80 221.76 22.89 o
-2 -5 2 385.10 365.47 5.68 o
-1 -5 2 108.49 114.75 5.17 o
0 -5 2 483.44 462.34 6.52 o
1 -5 2 1436.58 1471.50 54.96 o
2 -5 2 406.82 423.26 15.13 o
3 -5 2 677.60 693.77 8.56 o
4 -5 2 905.16 905.99 32.47 o
5 -5 2 570.85 583.10 40.57 o
6 -5 2 257.20 185.38 52.09 o
-4 -4 2 770.45 751.64 7.37 o
-3 -4 2 283.11 281.45 11.72 o
-2 -4 2 425.36 429.95 20.15 o
-1 -4 2 1322.29 1338.20 19.06 o
0 -4 2 1002.69 1005.41 6.68 o
1 -4 2 1005.29 1228.52 95.62 o
2 -4 2 1092.77 1075.37 13.24 o
3 -4 2 476.27 477.97 7.20 o
4 -4 2 591.78 589.26 36.25 o
5 -4 2 455.08 460.85 21.32 o
6 -4 2 220.22 205.18 37.08 o
-5 -3 2 90.28 70.40 6.86 o
-4 -3 2 416.00 419.78 15.99 o
-3 -3 2 1539.94 1518.52 8.46 o
-2 -3 2 79.86 74.61 5.54 o
-1 -3 2 809.29 765.44 10.84 o
0 -3 2 2494.67 2388.56 77.57 o
1 -3 2 1162.39 1095.62 22.34 o
2 -3 2 1107.72 1068.45 16.27 o
3 -3 2 641.61 623.65 7.76 o
4 -3 2 1365.43 1347.73 17.47 o
5 -3 2 117.22 128.22 5.01 o
6 -3 2 317.29 318.56 13.11 o
-5 -2 2 417.17 366.49 8.58 o
-4 -2 2 477.19 460.19 7.99 o
-3 -2 2 322.21 326.05 14.86 o
-2 -2 2 965.90 916.72 12.45 o
-1 -2 2 564.88 522.78 13.62 o
0 -2 2 4.54 28.58 26.64 o
1 -2 2 1900.29 1746.40 14.91 o
2 -2 2 755.97 681.34 14.09 o
3 -2 2 479.97 470.62 9.62 o
4 -2 2 603.08 601.65 7.22 o
5 -2 2 724.15 721.20 14.39 o
6 -2 2 309.93 319.42 12.14 o
-6 -1 2 94.33 93.71 11.69 o
-5 -1 2 277.97 295.35 6.36 o
-4 -1 2 1346.15 1334.93 15.84 o
-3 -1 2 873.59 857.77 9.88 o
-2 -1 2 1124.06 1094.76 22.44 o
-1 -1 2 4413.38 4386.22 69.95 o
0 -1 2 2607.96 2797.09 46.60 o
1 -1 2 1408.02 1382.86 27.05 o
2 -1 2 3300.66 3213.66 61.00 o
3 -1 2 885.21 837.27 7.86 o
4 -1 2 325.89 329.07 7.79 o
5 -1 2 571.91 599.55 12.79 o
6 -1 2 309.66 311.52 5.64 o
-6 0 2 406.96 420.34 6.23 o
-5 0 2 458.35 466.37 7.59 o
-4 0 2 618.65 632.88 9.42 o
-3 0 2 2659.88 2451.84 98.37 o
-2 0 2 15.88 -4.08 7.46 o
-1 0 2 1358.39 1305.40 22.69 o
0 0 2 4644.90 4828.77 354.87 o
1 0 2 244.63 196.28 12.07 o
2 0 2 1970.15 1971.05 20.67 o
3 0 2 1036.91 1196.46 214.24 o
4 0 2 594.19 606.71 5.95 o
5 0 2 261.61 271.75 8.24 o
-6 1 2 806.03 836.79 15.45 o
-5 1 2 894.07 885.83 8.74 o
-4 1 2 840.09 835.77 9.32 o
-3 1 2 1583.08 1598.49 19.83 o
-2 1 2 3621.04 3558.22 12.65 o
-1 1 2 1155.11 1122.16 21.66 o
0 1 2 24.17 47.69 12.61 o
1 1 2 3724.62 3711.17 37.66 o
2 1 2 1345.93 1290.98 30.47 o
3 1 2 59.84 243.01 11.31 o
4 1 2 594.38 625.24 37.31 o
5 1 2 684.25 693.62 7.62 o
-6 2 2 283.64 303.51 6.23 o
-5 2 2 228.26 247.95 5.67 o
-4 2 2 1151.09 1133.09 8.74 o
-3 2 2 1400.46 1360.83 12.34 o
-2 2 2 591.82 605.04 17.36 o
-1 2 2 2562.10 2580.72 27.44 o
0 2 2 2141.05 2261.58 91.16 o
1 2 2 322.23 298.42 10.22 o
2 2 2 2278.66 2322.58 112.30 o
3 2 2 752.49 776.17 31.31 o
4 2 2 61.43 52.69 6.59 o
-6 3 2 598.68 585.87 6.01 o
-5 3 2 1103.94 1117.80 7.73 o
-4 3 2 473.77 455.63 16.93 o
-3 3 2 2199.73 2211.21 21.50 o
-2 3 2 1441.88 1493.64 20.52 o
-1 3 2 59.63 38.29 7.05 o
0 3 2 1308.65 1369.31 43.96 o
1 3 2 848.38 894.10 46.03 o
2 3 2 56.57 43.57 6.97 o
3 3 2 301.98 273.01 21.91 o
-6 4 2 243.81 196.27 34.02 o
-5 4 2 265.55 271.60 6.04 o
-4 4 2 758.76 773.17 8.04 o
-3 4 2 398.93 391.37 8.62 o
-2 4 2 536.10 567.29 27.12 o
-1 4 2 365.75 427.83 7.19 o
0 4 2 22.96 18.58 6.67 o
1 4 2 615.38 653.90 29.78 o
2 4 2 268.65 265.61 22.23 o
-5 5 2 41.21 46.91 9.45 o
-4 5 2 248.73 195.84 5.67 o
-3 5 2 521.04 511.01 13.79 o
-2 5 2 54.63 72.21 5.60 o
-1 5 2 153.65 188.74 6.67 o
0 5 2 357.75 380.89 7.10 o
1 5 2 9.53 -1.72 5.50 o
-4 6 2 117.89 91.23 5.04 o
-3 6 2 356.38 325.90 24.10 o
-2 6 2 226.41 230.99 28.42 o
-1 6 2 108.01 105.18 13.26 o
0 -7 3 60.71 59.67 19.94 o
1 -7 3 644.58 669.86 109.60 o
2 -7 3 9.18 6.98 3.86 o
3 -7 3 54.78 54.46 9.61 o
-2 -6 3 30.90 11.77 4.94 o
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0 -6 3 19.44 11.26 11.17 o
1 -6 3 75.17 73.64 10.37 o
2 -6 3 580.39 631.71 45.83 o
3 -6 3 12.31 10.06 3.79 o
4 -6 3 76.10 73.20 7.04 o
5 -6 3 474.67 454.77 28.68 o
-3 -5 3 602.18 604.87 18.34 o
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-1 -5 3 137.55 152.25 9.17 o
0 -5 3 1592.60 1531.22 9.38 o
1 -5 3 82.83 76.63 4.52 o
2 -5 3 324.07 339.85 12.14 o
3 -5 3 1068.47 1096.01 43.45 o
4 -5 3 91.54 100.61 7.36 o
5 -5 3 126.15 126.43 10.93 o
-4 -4 3 11.87 4.08 4.76 o
-3 -4 3 357.47 311.04 11.57 o
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-1 -4 3 57.99 62.77 5.90 o
0 -4 3 160.04 157.14 4.92 o
1 -4 3 2066.45 2095.39 42.29 o
2 -4 3 55.51 53.70 4.61 o
3 -4 3 230.34 225.29 7.81 o
4 -4 3 976.56 1020.80 13.89 o
5 -4 3 101.70 93.57 26.91 o
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-5 -3 3 293.65 269.63 5.39 o
-4 -3 3 746.19 719.88 6.68 o
-3 -3 3 325.90 352.94 16.30 o
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0 -3 3 286.50 273.01 29.89 o
1 -3 3 15.00 39.39 18.27 o
2 -3 3 2412.05 2361.33 14.98 o
3 -3 3 162.71 165.84 5.88 o
4 -3 3 15.67 134.05 10.55 o
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0 -2 3 3002.43 2964.45 51.79 o
1 -2 3 169.96 168.04 5.72 o
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3 -2 3 1832.67 1790.49 33.86 o
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0 -1 3 123.84 134.56 7.78 o
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3 -1 3 6.68 14.64 6.47 o
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5 -1 3 3.38 8.67 5.06 o
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1 0 3 101.57 112.26 10.82 o
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3 0 3 23.01 -21.82 14.54 o
4 0 3 7.05 21.62 5.46 o
5 0 3 536.40 535.87 32.06 o
-6 1 3 179.13 196.96 9.03 o
-5 1 3 13.73 18.32 4.87 o
-4 1 3 146.99 160.98 6.07 o
-3 1 3 499.75 478.90 11.80 o
-2 1 3 48.51 50.90 7.31 o
-1 1 3 49.25 46.95 11.60 o
0 1 3 592.58 579.22 13.34 o
1 1 3 0.97 -4.81 8.97 o
2 1 3 213.95 209.40 10.06 o
3 1 3 705.43 775.98 8.68 o
4 1 3 8.40 4.93 6.53 o
-6 2 3 375.84 368.41 13.82 o
-5 2 3 308.64 313.08 15.15 o
-4 2 3 0.15 17.08 19.15 o
-3 2 3 1256.98 1256.65 28.05 o
-2 2 3 1520.34 1524.82 17.93 o
-1 2 3 20.09 12.42 11.85 o
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2 2 3 4.32 8.09 7.16 o
3 2 3 248.31 255.75 24.11 o
4 2 3 468.62 484.74 22.77 o
-6 3 3 30.77 17.77 4.58 o
-5 3 3 356.83 377.58 31.91 o
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-1 3 3 308.15 309.84 7.75 o
0 3 3 16.22 -12.90 18.29 o
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2 3 3 490.39 474.07 29.68 o
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-5 4 3 43.48 53.18 12.66 o
-4 4 3 293.70 312.90 11.29 o
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