#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/39/2203976.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_2203976_Fobs
loop_
_publ_author_name
'Jongen, Liesbet'
'Meyer, Gerd'
_publ_section_title
;
 Tetrapotassium
 dodeca-\m-chloro-hexachloro-<i>octahedro</i>-hexatantalate,
 K~4~[Ta~6~Cl~12~]Cl~6~
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i100
_journal_page_last               i101
_journal_volume                  60
_journal_year                    2004
_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                 115.005
_cell_angle_gamma                90.000
_cell_length_a                   9.9900
_cell_length_b                   16.5228
_cell_length_c                   9.4745
_exptl_crystal_F_000             1640.00
_reflns_d_resolution_high        0.7828
_[local]_cod_data_source_file    bt6483Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' LJ145C2'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            845.14
_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 15481.50 18604.11 781.59 o
4 0 0 312618.28 343947.19 1016.91 o
6 0 0 36753.11 35227.33 1275.00 o
8 0 0 106897.02 101998.13 1566.45 o
10 0 0 132.76 67.75 359.60 o
1 1 0 245273.30 294895.91 8499.00 o
3 1 0 51576.69 49016.87 2267.33 o
5 1 0 111736.30 108836.48 3359.22 o
7 1 0 148106.14 145614.13 2185.78 o
9 1 0 18454.76 17489.54 237.58 o
11 1 0 29610.23 27150.74 1091.54 o
0 2 0 257697.92 264147.66 26455.67 o
2 2 0 7299.78 6785.77 419.12 o
4 2 0 135402.03 133602.00 3253.40 o
6 2 0 326.24 747.01 226.96 o
8 2 0 44972.14 44049.33 873.80 o
10 2 0 2340.02 2709.61 255.74 o
1 3 0 36805.20 34641.47 1047.86 o
3 3 0 66503.18 65527.74 1556.28 o
5 3 0 42743.10 40845.12 597.68 o
7 3 0 68.46 391.73 245.18 o
9 3 0 10818.71 11023.30 385.37 o
11 3 0 87.48 608.11 257.12 o
0 4 0 20634.96 16825.49 1210.63 o
2 4 0 1816.28 2590.73 361.41 o
4 4 0 1817.44 1858.36 278.95 o
6 4 0 12667.99 12991.04 292.34 o
8 4 0 285.86 360.71 223.77 o
10 4 0 4184.05 3901.80 265.65 o
1 5 0 50119.32 43922.78 1345.26 o
3 5 0 52144.04 48681.45 1925.72 o
5 5 0 1140.75 1639.73 290.02 o
7 5 0 29238.66 27696.21 910.98 o
9 5 0 3607.22 3835.20 254.31 o
11 5 0 9921.54 9211.35 574.97 o
0 6 0 17272.61 14045.83 1274.90 o
2 6 0 81.35 1146.50 359.55 o
4 6 0 7206.79 7027.28 348.76 o
6 6 0 35980.14 37207.34 1012.24 o
8 6 0 5328.93 5866.81 248.31 o
10 6 0 15687.28 14853.57 574.18 o
1 7 0 21697.35 19833.10 500.36 o
3 7 0 10660.43 10929.95 438.52 o
5 7 0 217.33 508.27 310.39 o
7 7 0 21752.14 21814.98 764.53 o
9 7 0 1278.67 1436.02 240.10 o
0 8 0 13834.52 12131.63 545.86 o
2 8 0 48.91 371.08 306.54 o
4 8 0 532.14 816.47 332.68 o
6 8 0 3839.70 3663.65 286.32 o
8 8 0 2658.51 2719.45 241.55 o
10 8 0 2516.22 2321.65 291.08 o
1 9 0 74649.09 68346.63 1794.62 o
3 9 0 1495.43 1858.56 355.81 o
5 9 0 42873.62 43251.22 1596.47 o
7 9 0 27541.90 28140.83 975.83 o
9 9 0 12733.10 12555.49 696.47 o
0 10 0 350615.78 337946.50 9039.27 o
2 10 0 4033.50 3951.62 305.81 o
4 10 0 50079.88 52839.47 2017.57 o
6 10 0 14156.36 14690.68 295.22 o
8 10 0 24359.43 24265.13 1031.32 o
10 10 0 26.53 240.01 285.77 o
1 11 0 81659.90 80781.38 1098.35 o
3 11 0 52174.45 53104.11 1642.98 o
5 11 0 54431.14 58458.83 2131.62 o
7 11 0 58622.69 56936.11 2328.67 o
9 11 0 9947.38 10062.22 430.06 o
0 12 0 174745.06 177246.73 3034.35 o
2 12 0 1963.98 2095.79 329.15 o
4 12 0 142157.89 147519.55 4181.30 o
6 12 0 738.39 1213.49 317.32 o
8 12 0 39052.49 38997.34 1716.29 o
1 13 0 23682.50 24744.65 420.98 o
3 13 0 51299.00 53066.02 1768.44 o
5 13 0 11606.71 12423.71 320.49 o
7 13 0 11232.47 11340.48 389.63 o
9 13 0 2963.34 2656.91 307.16 o
0 14 0 18536.31 19602.65 520.31 o
2 14 0 342.03 587.52 328.19 o
4 14 0 16448.00 17327.08 350.34 o
6 14 0 33.50 229.19 305.07 o
8 14 0 6603.26 6318.76 405.55 o
1 15 0 134.81 854.91 349.44 o
3 15 0 12.50 402.66 342.15 o
5 15 0 4543.34 4588.23 355.34 o
7 15 0 171.58 234.43 274.76 o
0 16 0 5025.27 5203.03 557.15 o
2 16 0 256.38 947.16 301.14 o
4 16 0 2529.53 2586.42 322.79 o
6 16 0 2827.38 3236.91 320.84 o
1 17 0 3549.26 4189.81 351.94 o
3 17 0 5154.82 5575.92 399.63 o
5 17 0 9.90 385.14 303.52 o
0 18 0 548.64 398.01 501.55 o
2 18 0 713.35 1279.55 350.95 o
4 18 0 3237.23 3252.99 327.74 o
6 18 0 2350.41 2337.40 308.72 o
1 19 0 84.35 104.71 377.56 o
3 19 0 4223.63 4400.17 328.71 o
5 19 0 228.45 179.61 337.43 o
0 20 0 9684.02 9202.07 860.79 o
2 20 0 22.14 204.06 366.00 o
1 21 0 3386.27 3838.24 425.75 o
-10 0 1 7440.88 7744.22 357.44 o
-8 0 1 118634.82 116158.67 3783.26 o
-6 0 1 7178.26 7698.17 358.24 o
-4 0 1 99438.09 100799.05 3757.73 o
-2 0 1 38101.02 36625.43 541.48 o
0 0 1 264750.41 309139.34 11171.41 o
2 0 1 80676.23 86146.22 1667.44 o
4 0 1 141719.53 148127.83 868.99 o
6 0 1 50962.20 52400.67 2032.07 o
8 0 1 6708.85 7491.63 323.91 o
10 0 1 16700.41 15235.22 424.24 o
-11 1 1 23049.15 21495.63 371.17 o
-9 1 1 39427.73 39725.36 502.01 o
-7 1 1 132623.95 126259.06 2470.11 o
-5 1 1 189102.27 191373.69 2889.62 o
-3 1 1 85053.30 78722.27 2951.66 o
-1 1 1 212147.27 225859.70 7132.75 o
1 1 1 32016.97 30734.88 536.54 o
3 1 1 120697.40 127124.88 1005.64 o
5 1 1 6232.00 6874.59 339.25 o
7 1 1 8765.52 8934.41 311.49 o
9 1 1 407.49 489.99 236.94 o
11 1 1 3334.93 3060.43 259.34 o
-10 2 1 14.60 107.86 250.04 o
-8 2 1 34498.89 33948.00 524.04 o
-6 2 1 5127.50 5448.29 252.69 o
-4 2 1 190487.22 188046.00 2616.86 o
-2 2 1 11760.75 10542.31 340.85 o
0 2 1 105282.70 111654.77 1850.10 o
2 2 1 2723.32 2974.20 460.38 o
4 2 1 38339.62 37495.04 1350.33 o
6 2 1 6104.48 6339.58 268.06 o
8 2 1 2750.01 2950.64 218.34 o
10 2 1 38.74 99.08 250.79 o
-11 3 1 7134.35 6624.36 250.57 o
-9 3 1 12.56 341.47 231.46 o
-7 3 1 6195.26 6324.65 250.45 o
-5 3 1 771.87 1363.98 249.01 o
-3 3 1 14302.80 14313.88 347.97 o
-1 3 1 14012.62 12587.37 438.92 o
1 3 1 55821.24 56334.89 1920.90 o
3 3 1 5526.43 5936.33 382.25 o
5 3 1 9586.34 9246.89 543.07 o
7 3 1 1648.94 1816.64 274.76 o
9 3 1 7392.72 7499.27 257.58 o
-10 4 1 6475.06 6145.11 244.62 o
-8 4 1 10.22 97.06 216.52 o
-6 4 1 31777.42 31449.02 518.59 o
-4 4 1 359.85 690.36 246.34 o
-2 4 1 89763.30 84121.72 2917.31 o
0 4 1 3768.64 3321.81 484.48 o
2 4 1 440397.59 441864.22 7449.43 o
4 4 1 3.22 366.61 289.78 o
6 4 1 90754.92 90476.45 1783.08 o
8 4 1 11646.08 11516.23 349.03 o
10 4 1 25977.66 24656.34 686.79 o
-11 5 1 602.45 682.78 260.51 o
-9 5 1 30694.57 30581.87 1100.50 o
-7 5 1 5954.00 6304.86 283.33 o
-5 5 1 125220.99 121315.41 1267.66 o
-3 5 1 80424.84 76732.36 1581.92 o
-1 5 1 60990.71 50251.81 1068.78 o
1 5 1 174381.83 166537.97 7621.45 o
3 5 1 149820.94 135393.25 4403.34 o
5 5 1 9431.97 9621.37 359.07 o
7 5 1 79823.53 81226.17 2614.89 o
9 5 1 67083.74 66226.52 1324.40 o
-10 6 1 6013.73 6058.36 370.19 o
-8 6 1 20327.69 20305.54 885.35 o
-6 6 1 27341.11 27501.88 780.67 o
-4 6 1 50238.45 47396.00 647.79 o
-2 6 1 103560.66 92687.52 2444.92 o
0 6 1 61751.00 55060.34 1270.76 o
2 6 1 325425.41 335233.53 5163.37 o
4 6 1 1641.76 2267.25 271.21 o
6 6 1 120760.21 124328.88 2569.06 o
8 6 1 8276.95 8317.93 262.56 o
10 6 1 34845.44 32169.31 1422.57 o
-11 7 1 571.95 422.92 262.10 o
-9 7 1 11624.16 11583.35 424.93 o
-7 7 1 4924.25 5151.27 250.44 o
-5 7 1 24926.84 25454.58 429.62 o
-3 7 1 41182.52 39368.84 1541.50 o
-1 7 1 173834.61 152603.84 2629.46 o
1 7 1 111415.30 103935.61 2415.08 o
3 7 1 56964.20 52947.03 1200.23 o
5 7 1 65861.89 67178.34 1958.50 o
7 7 1 42202.08 42882.99 1620.75 o
9 7 1 21978.69 20559.27 486.27 o
-10 8 1 66.17 127.13 271.83 o
-8 8 1 41.31 264.56 270.40 o
-6 8 1 21395.45 22654.94 346.71 o
-4 8 1 6670.69 6383.32 264.39 o
-2 8 1 65422.85 60115.38 939.47 o
0 8 1 4196.32 3838.39 389.52 o
2 8 1 31898.72 30626.47 683.70 o
4 8 1 2039.71 2217.46 285.47 o
6 8 1 55505.36 54566.88 803.63 o
8 8 1 345.56 492.63 309.80 o
10 8 1 10742.21 9385.36 718.67 o
-9 9 1 2528.93 2931.38 270.77 o
-7 9 1 29732.26 31479.85 853.74 o
-5 9 1 12202.68 12762.82 454.26 o
-3 9 1 4956.34 5280.34 331.52 o
-1 9 1 11204.18 10797.35 340.04 o
1 9 1 7294.05 6822.93 414.85 o
3 9 1 6336.30 6536.15 288.48 o
5 9 1 9744.67 9990.89 398.04 o
7 9 1 103.44 394.31 279.97 o
9 9 1 1882.67 1915.00 279.34 o
-10 10 1 2058.25 2001.95 272.53 o
-8 10 1 47905.75 48898.75 1172.91 o
-6 10 1 4.89 398.50 278.22 o
-4 10 1 47808.96 49600.24 1201.43 o
-2 10 1 421.77 770.60 305.61 o
0 10 1 80926.73 75649.69 1714.14 o
2 10 1 50.53 409.66 350.95 o
4 10 1 46455.66 49010.01 1076.54 o
6 10 1 1770.79 2097.67 271.82 o
8 10 1 2153.94 2256.94 284.51 o
-9 11 1 19718.91 20225.33 879.35 o
-7 11 1 40191.02 42340.84 988.52 o
-5 11 1 80648.36 86600.55 2410.50 o
-3 11 1 28570.46 28558.08 532.61 o
-1 11 1 84133.64 83114.19 1366.52 o
1 11 1 3988.08 4373.48 336.56 o
3 11 1 64938.81 69305.25 1074.46 o
5 11 1 180.07 308.56 315.82 o
7 11 1 5884.75 5756.19 304.08 o
9 11 1 602.31 651.34 288.55 o
-8 12 1 26616.71 27285.84 1401.17 o
-6 12 1 1007.12 1766.05 298.43 o
-4 12 1 85938.58 89353.63 1293.00 o
-2 12 1 10028.17 9978.46 305.99 o
0 12 1 44552.77 44934.20 490.99 o
2 12 1 27498.27 26766.16 868.56 o
4 12 1 24565.54 25355.93 945.13 o
6 12 1 6561.27 6717.13 344.20 o
8 12 1 3201.00 2808.11 327.77 o
-9 13 1 9026.71 8386.85 461.24 o
-7 13 1 13761.00 14028.10 718.39 o
-5 13 1 21662.47 23672.55 511.68 o
-3 13 1 21464.35 21595.96 768.68 o
-1 13 1 18382.67 18047.23 778.07 o
1 13 1 23214.78 23193.84 449.03 o
3 13 1 18025.90 19120.34 436.55 o
5 13 1 104.82 350.05 275.47 o
7 13 1 2404.74 2340.22 330.90 o
-8 14 1 7723.78 7716.07 426.86 o
-6 14 1 916.38 895.38 293.67 o
-4 14 1 8290.24 8883.65 306.15 o
-2 14 1 55.25 274.34 305.53 o
0 14 1 6707.04 7409.86 347.10 o
2 14 1 15467.40 15434.25 728.77 o
4 14 1 1414.42 1646.09 320.11 o
6 14 1 407.88 498.87 303.83 o
8 14 1 3657.21 3719.44 288.10 o
-7 15 1 2526.47 2952.82 308.30 o
-5 15 1 5194.78 5839.35 303.50 o
-3 15 1 8698.70 8762.64 292.41 o
-1 15 1 275.14 392.50 355.56 o
1 15 1 11278.09 11380.29 338.71 o
3 15 1 4005.28 4101.14 301.61 o
5 15 1 279.69 489.14 323.99 o
7 15 1 4399.81 3782.59 384.32 o
-6 16 1 5269.94 5534.62 306.63 o
-4 16 1 1592.40 1685.82 297.94 o
-2 16 1 28146.38 30490.53 1353.21 o
0 16 1 2744.04 3406.73 357.01 o
2 16 1 48101.07 46654.04 2101.81 o
4 16 1 2.93 256.65 314.92 o
6 16 1 26897.82 26574.05 1158.51 o
-7 17 1 239.69 619.29 318.41 o
-5 17 1 8683.23 9199.20 377.45 o
-3 17 1 3007.08 3102.79 330.35 o
-1 17 1 32824.19 34705.60 1582.94 o
1 17 1 9177.50 9909.38 396.29 o
3 17 1 15219.43 13792.27 623.41 o
5 17 1 12401.80 12208.46 454.03 o
-6 18 1 6643.31 6376.58 339.43 o
-4 18 1 2554.35 2771.42 309.71 o
-2 18 1 16042.13 16495.02 1130.51 o
0 18 1 887.30 872.31 338.58 o
2 18 1 14392.72 13729.80 624.29 o
4 18 1 163.85 551.27 348.52 o
-5 19 1 1555.97 1564.06 334.16 o
-3 19 1 1495.20 1681.97 458.73 o
-1 19 1 3517.42 3272.44 366.88 o
1 19 1 5300.21 4867.14 362.16 o
3 19 1 4996.67 4530.71 375.86 o
-4 20 1 229.52 769.83 407.04 o
-2 20 1 1602.24 1387.28 392.73 o
0 20 1 929.93 1157.18 401.19 o
2 20 1 2191.40 2204.78 391.47 o
-1 21 1 2348.59 1551.90 400.61 o
-12 0 2 13434.02 12885.60 1090.24 o
-10 0 2 1317.17 1459.48 319.46 o
-8 0 2 10156.06 9996.67 430.08 o
-6 0 2 11287.71 10548.22 340.64 o
-4 0 2 21984.54 21525.98 481.26 o
-2 0 2 47456.18 49336.69 1521.66 o
0 0 2 61518.11 55660.67 2841.97 o
2 0 2 33723.65 34182.79 630.66 o
4 0 2 122206.58 119301.16 1001.34 o
6 0 2 9512.32 9678.72 375.09 o
8 0 2 41936.95 43630.40 502.37 o
10 0 2 510.59 326.61 350.12 o
-11 1 2 2958.34 3134.05 246.97 o
-9 1 2 15318.44 15547.98 408.65 o
-7 1 2 6238.42 6017.28 238.83 o
-5 1 2 38870.02 36410.20 687.62 o
-3 1 2 6479.45 6298.57 301.00 o
-1 1 2 3371.11 2875.24 542.40 o
1 1 2 48391.09 46493.31 498.23 o
3 1 2 70.10 619.36 303.58 o
5 1 2 22790.07 23710.76 542.39 o
7 1 2 817.87 970.84 282.79 o
9 1 2 14717.93 13971.56 298.24 o
-12 2 2 6434.74 5708.14 255.63 o
-10 2 2 223.74 331.81 247.23 o
-8 2 2 1562.14 1640.72 242.55 o
-6 2 2 2446.35 2673.86 259.92 o
-4 2 2 6603.75 5973.22 240.94 o
-2 2 2 3639.49 3712.33 373.20 o
0 2 2 8289.20 8229.34 463.78 o
2 2 2 1059.08 1091.20 387.93 o
4 2 2 1547.78 1799.43 300.56 o
6 2 2 12.50 514.50 318.35 o
8 2 2 21510.62 20396.16 628.33 o
10 2 2 2139.59 2166.96 251.32 o
-11 3 2 8519.52 8389.34 361.09 o
-9 3 2 6815.56 7086.16 252.49 o
-7 3 2 24759.76 24423.60 636.74 o
-5 3 2 64737.96 62025.97 763.33 o
-3 3 2 91329.80 85407.69 1628.35 o
-1 3 2 72951.88 67033.01 1361.47 o
1 3 2 19017.83 19355.01 435.92 o
3 3 2 62026.88 60995.06 1471.13 o
5 3 2 11370.75 11609.61 323.57 o
7 3 2 25121.20 25347.59 457.05 o
9 3 2 1277.84 1330.68 289.75 o
-12 4 2 3193.08 2709.16 278.83 o
-10 4 2 39638.27 38592.31 1343.50 o
-8 4 2 4866.13 4724.26 247.29 o
-6 4 2 149583.28 147068.28 2912.50 o
-4 4 2 614.17 802.16 266.40 o
-2 4 2 35787.65 30447.18 730.66 o
0 4 2 157.99 652.29 431.84 o
2 4 2 277765.09 278768.13 4936.37 o
4 4 2 2564.61 2803.16 280.49 o
6 4 2 78117.06 80800.41 805.46 o
8 4 2 5056.90 5089.46 265.30 o
10 4 2 13704.31 12875.88 543.66 o
-11 5 2 5109.79 4660.02 264.66 o
-9 5 2 22690.73 23210.60 582.64 o
-7 5 2 35650.59 36892.77 964.70 o
-5 5 2 369784.75 378472.56 6106.23 o
-3 5 2 188399.39 183810.78 6699.49 o
-1 5 2 96592.39 87505.21 2343.34 o
1 5 2 501982.28 529798.88 6296.96 o
3 5 2 34263.80 32823.90 1577.84 o
5 5 2 76811.97 81014.92 1842.23 o
7 5 2 12412.19 12925.14 377.35 o
9 5 2 27970.27 26911.65 1132.21 o
-10 6 2 79524.70 79911.84 3270.02 o
-8 6 2 563.46 652.26 250.90 o
-6 6 2 278054.41 287686.88 6312.12 o
-4 6 2 26.69 1044.23 256.53 o
-2 6 2 269374.16 244114.09 8210.86 o
0 6 2 4933.86 5171.52 351.77 o
2 6 2 424774.09 454809.78 3986.90 o
4 6 2 2117.23 2418.30 322.50 o
6 6 2 139099.77 145930.78 2395.18 o
8 6 2 6534.83 6842.84 368.15 o
10 6 2 21248.92 18911.38 834.88 o
-11 7 2 6456.12 6174.12 423.88 o
-9 7 2 39056.74 40363.32 1661.96 o
-7 7 2 28754.27 30657.54 796.37 o
-5 7 2 75892.30 76884.66 2673.76 o
-3 7 2 146599.47 137196.98 2687.70 o
-1 7 2 80089.12 69507.08 2048.80 o
1 7 2 102665.90 96534.64 1273.65 o
3 7 2 34734.79 34414.14 545.53 o
5 7 2 102905.03 102210.39 3683.18 o
7 7 2 10019.45 10059.28 310.40 o
9 7 2 20136.08 18748.95 524.16 o
-10 8 2 13372.08 12643.06 648.94 o
-8 8 2 1280.43 1541.32 252.88 o
-6 8 2 30099.16 32042.94 974.92 o
-4 8 2 563.13 791.61 245.12 o
-2 8 2 125516.45 114470.97 3449.12 o
0 8 2 120.45 253.72 317.88 o
2 8 2 51938.34 50790.12 1113.72 o
4 8 2 3427.11 3526.20 265.00 o
6 8 2 19886.95 20069.06 339.39 o
8 8 2 567.47 589.83 269.69 o
-11 9 2 4823.67 4619.56 286.20 o
-9 9 2 694.48 1076.47 270.18 o
-7 9 2 3302.14 3630.90 265.25 o
-5 9 2 2817.52 3720.38 260.92 o
-3 9 2 10487.73 9422.48 267.60 o
-1 9 2 26005.83 24244.29 371.94 o
1 9 2 1460.14 1695.76 322.41 o
3 9 2 22093.20 23909.89 545.78 o
5 9 2 181.53 685.26 343.96 o
7 9 2 2108.84 2339.96 262.78 o
9 9 2 141.57 265.05 318.68 o
-10 10 2 264.73 288.18 272.72 o
-8 10 2 1964.24 2443.43 269.68 o
-6 10 2 4548.12 5262.25 240.99 o
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