#------------------------------------------------------------------------------
#$Date: 2016-04-03 00:20:14 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181005 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/85/2208501.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_2208501_Fobs
loop_
_publ_author_name
'Thomas, Evan Lyle'
'Gautreaux, Dixie P.'
'Chan, Julia Y.'
_publ_section_title
;
 The layered intermetallic compound LaPdSb~3~
;
_journal_coeditor_code           BR2001
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i96
_journal_page_last               i98
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.9210
_cell_length_b                   6.3450
_cell_length_c                   12.5030
_exptl_crystal_F_000             2048.00
_reflns_d_resolution_high        0.7108
_cod_data_source_file            br2001Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' LaPdSb3 ELT061'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1170.89
_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+1/2'
'x, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z-1/2'
'-x, y-1/2, z'
'x, -y-1/2, 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
2 0 0 10603.86 11188.49 384.14 o
3 0 0 1973.85 3910.11 351.79 o
4 0 0 333688.50 312275.00 8313.53 o
5 0 0 477003.44 440609.06 10945.88 o
6 0 0 1321.91 1010.89 355.83 o
7 0 0 159908.66 158523.17 4003.11 o
8 0 0 9226.63 8370.14 513.53 o
9 0 0 1591.17 2139.04 444.79 o
10 0 0 247482.64 269991.63 8358.01 o
11 0 0 189525.14 210199.70 6821.46 o
12 0 0 1776.39 2349.30 642.92 o
13 0 0 8029.61 8818.97 792.54 o
14 0 0 5802.15 5268.74 845.10 o
15 0 0 213056.92 236806.27 24071.23 o
16 0 0 11197.24 12680.56 2899.22 o
17 0 0 133.91 3760.50 2713.22 o
18 0 0 7556.86 1904.51 3158.01 o
1 1 0 3590.26 4403.42 214.31 o
2 1 0 3547.25 5297.05 291.14 o
3 1 0 8691.51 10351.48 327.53 o
4 1 0 4172.50 5329.39 234.53 o
5 1 0 2418.12 2308.86 194.09 o
6 1 0 15859.34 16356.14 460.96 o
7 1 0 28359.66 27924.73 671.23 o
8 1 0 36928.18 38045.72 861.28 o
9 1 0 8875.16 9591.29 432.66 o
10 1 0 7960.00 7407.78 416.49 o
11 1 0 36598.30 37811.20 1249.46 o
12 1 0 13775.83 13553.97 562.05 o
13 1 0 2435.00 2066.25 602.49 o
14 1 0 2444.57 2272.47 768.27 o
15 1 0 23757.83 25490.51 1799.38 o
16 1 0 2675.73 6502.02 1783.20 o
17 1 0 451.71 40.44 1965.16 o
18 1 0 889.11 -2260.34 2260.34 o
0 2 0 37048.71 40597.20 1297.98 o
1 2 0 17318.41 20670.61 578.23 o
2 2 0 765609.69 730709.19 20626.13 o
3 2 0 427565.25 406586.63 8463.14 o
4 2 0 102671.98 104942.15 2345.26 o
5 2 0 226741.47 226547.78 4403.42 o
6 2 0 760.83 1087.71 238.57 o
7 2 0 147493.73 152498.30 3299.53 o
8 2 0 104839.09 105204.98 2086.47 o
9 2 0 104361.73 107695.82 3036.70 o
10 2 0 12668.36 12955.52 776.36 o
11 2 0 34619.54 35122.24 1508.24 o
12 2 0 101685.05 107962.68 4096.11 o
13 2 0 194279.30 219330.02 8099.22 o
14 2 0 6797.03 6024.88 841.06 o
15 2 0 7919.32 6663.76 1083.67 o
16 2 0 9972.72 8855.37 1589.11 o
17 2 0 23084.85 19869.99 3004.35 o
1 3 0 41160.35 42566.41 1079.63 o
2 3 0 109612.38 107566.42 2244.17 o
3 3 0 120441.41 118237.34 2490.82 o
4 3 0 79577.66 80389.74 1597.20 o
5 3 0 39762.45 43399.38 1172.63 o
6 3 0 5112.44 5535.61 420.53 o
7 3 0 1245.64 404.35 363.92 o
8 3 0 42.01 -283.05 283.05 o
9 3 0 3185.75 2628.30 287.09 o
10 3 0 28.50 1010.89 691.45 o
11 3 0 29165.61 32028.93 1439.50 o
12 3 0 10914.24 9316.33 1010.89 o
13 3 0 378.32 -121.31 1140.28 o
14 3 0 391.59 -930.02 930.02 o
15 3 0 7853.57 8855.37 1285.85 o
16 3 0 1441.12 1459.72 1613.37 o
17 3 0 3975.85 287.09 2636.39 o
0 4 0 733897.19 712262.50 19688.03 o
1 4 0 18434.70 18531.57 711.66 o
2 4 0 7467.60 8042.61 469.05 o
3 4 0 1983.98 2587.87 448.83 o
4 4 0 219481.41 217639.81 5066.56 o
5 4 0 69345.30 71635.46 1613.37 o
6 4 0 37102.34 34374.19 1120.06 o
7 4 0 16048.76 15947.75 711.66 o
8 4 0 25480.46 24285.54 942.15 o
9 4 0 4254.39 4298.29 473.09 o
10 4 0 121903.59 129704.82 3618.97 o
11 4 0 105612.92 102738.42 6574.81 o
12 4 0 289.47 161.74 1124.11 o
13 4 0 3786.93 4925.04 1297.98 o
14 4 0 2945.88 2349.30 1209.02 o
15 4 0 134971.89 144132.20 6869.98 o
16 4 0 1529.74 287.09 2029.86 o
1 5 0 6681.63 5745.88 610.58 o
2 5 0 27175.86 23848.83 994.71 o
3 5 0 29509.22 27455.68 1067.50 o
4 5 0 4431.30 4245.72 525.66 o
5 5 0 26.66 -319.44 525.66 o
6 5 0 10689.53 9199.07 731.88 o
7 5 0 42004.07 46379.47 1904.51 o
8 5 0 48641.16 52181.96 2021.77 o
9 5 0 5279.62 4484.29 699.53 o
10 5 0 4805.22 3910.11 804.67 o
11 5 0 9273.59 7618.04 1508.24 o
12 5 0 436.96 -1370.76 1459.72 o
13 5 0 7452.08 5685.23 1488.03 o
14 5 0 1492.27 3194.40 1407.15 o
15 5 0 10726.49 6599.07 1928.77 o
0 6 0 125888.93 129268.13 9542.77 o
1 6 0 81399.88 77118.51 4354.90 o
2 6 0 68295.93 63281.50 2935.61 o
3 6 0 87435.24 90373.25 3869.67 o
4 6 0 4644.29 2947.74 853.19 o
5 6 0 6286.50 5418.35 739.97 o
6 6 0 32175.85 30747.13 1621.46 o
7 6 0 4747.03 3283.36 853.19 o
8 6 0 43011.17 45348.37 2656.61 o
9 6 0 27275.35 26857.23 1912.60 o
10 6 0 1379.60 1209.02 1734.68 o
11 6 0 5509.80 7371.38 1969.21 o
12 6 0 27617.03 31098.91 2907.31 o
13 6 0 56798.71 50540.28 4160.81 o
1 7 0 7402.95 9085.85 1378.85 o
2 7 0 4948.98 2547.43 1338.41 o
3 7 0 7177.07 5212.13 1423.33 o
4 7 0 8509.58 9122.24 1496.11 o
5 7 0 208.98 2385.69 1690.20 o
6 7 0 3280.12 1459.72 1734.68 o
7 7 0 367.79 -1702.33 1702.33 o
8 7 0 29.36 970.45 1492.07 o
9 7 0 833.78 3962.68 2175.43 o
10 7 0 1905.47 -1459.72 1981.34 o
11 7 0 31133.11 25365.16 4100.16 o
0 8 0 51162.49 52917.89 4253.81 o
1 8 0 14429.95 18806.53 1876.21 o
2 8 0 4904.93 6930.64 1674.03 o
3 8 0 34.21 -1382.89 1382.89 o
4 8 0 68520.63 79366.73 5438.57 o
5 8 0 9.81 3081.18 2721.31 o
6 8 0 18524.76 16821.15 2660.65 o
7 8 0 347.83 1168.58 1730.64 o
8 8 0 4727.79 -4059.72 4059.72 o
1 1 1 5108.45 6013.53 164.65 o
2 1 1 16009.64 17521.85 560.03 o
3 1 1 6806.18 7672.37 236.03 o
4 1 1 6779.42 8150.64 671.23 o
5 1 1 10140.37 9590.71 278.67 o
6 1 1 38864.88 38844.93 609.38 o
7 1 1 41667.43 41118.22 814.78 o
8 1 1 32310.10 32722.37 907.78 o
9 1 1 211.88 -60.65 285.92 o
10 1 1 2404.16 2357.55 386.16 o
11 1 1 30031.48 29863.09 680.47 o
12 1 1 25333.60 25161.25 1926.75 o
13 1 1 30058.54 31922.87 2385.69 o
14 1 1 2563.22 2450.72 499.56 o
15 1 1 2604.68 3514.57 783.49 o
16 1 1 5155.71 5184.48 1319.34 o
17 1 1 4799.73 5212.13 1492.51 o
18 1 1 10197.32 9674.90 2669.77 o
0 2 1 3810.14 5009.95 372.01 o
1 2 1 2333.22 3494.13 210.14 o
2 2 1 1663.70 2355.62 388.18 o
3 2 1 24504.65 24916.68 493.21 o
4 2 1 7077.67 7133.81 337.64 o
5 2 1 3634.36 3576.19 184.53 o
6 2 1 287.08 461.64 303.27 o
7 2 1 1709.95 1918.49 265.95 o
8 2 1 34184.24 36608.48 651.88 o
9 2 1 10002.21 9377.73 355.76 o
10 2 1 13534.62 13517.63 438.15 o
11 2 1 9290.11 8711.08 375.15 o
12 2 1 2183.34 2225.72 465.15 o
13 2 1 9519.66 9754.26 628.09 o
14 2 1 4069.81 4465.35 857.23 o
15 2 1 6702.55 7853.06 918.04 o
16 2 1 5711.27 8182.34 2084.45 o
17 2 1 3878.10 4784.85 1583.63 o
1 3 1 9659.91 10400.80 341.77 o
2 3 1 1158.65 927.35 221.42 o
3 3 1 9886.83 10507.04 334.86 o
4 3 1 13270.50 14364.33 374.52 o
5 3 1 1496.34 1365.57 261.61 o
6 3 1 25496.68 27337.41 527.26 o
7 3 1 147.69 -17.94 228.68 o
8 3 1 3481.15 3294.26 324.60 o
9 3 1 3714.27 2775.72 754.12 o
10 3 1 40.40 417.36 316.70 o
11 3 1 9551.77 8927.33 1023.02 o
12 3 1 403.69 231.19 611.37 o
13 3 1 7868.67 6817.64 746.50 o
14 3 1 547.83 566.17 788.79 o
15 3 1 299.71 -327.00 1015.52 o
16 3 1 3582.16 2122.27 1143.94 o
17 3 1 446.88 2931.51 2377.32 o
0 4 1 38779.86 39711.67 1120.06 o
1 4 1 3965.08 3805.76 323.76 o
2 4 1 6695.01 6292.91 352.67 o
3 4 1 7507.24 7502.05 342.54 o
4 4 1 546.66 930.96 308.79 o
5 4 1 29588.06 30019.24 663.44 o
6 4 1 1658.02 1592.56 503.42 o
7 4 1 424.34 257.82 361.90 o
8 4 1 11796.57 10476.83 435.97 o
9 4 1 24113.29 21968.95 659.30 o
10 4 1 50568.00 52133.19 1589.81 o
11 4 1 20.18 39.05 436.83 o
12 4 1 444.20 -122.62 741.96 o
13 4 1 276.80 1038.67 836.03 o
14 4 1 5273.50 5287.65 938.51 o
15 4 1 26661.58 27445.51 1546.32 o
16 4 1 2050.53 1598.81 2830.48 o
1 5 1 23.90 488.54 545.88 o
2 5 1 15246.26 13542.94 479.10 o
3 5 1 7073.39 6537.03 405.92 o
4 5 1 980.64 814.24 1134.21 o
5 5 1 13326.95 11905.75 1692.22 o
6 5 1 12946.26 12207.46 511.77 o
7 5 1 1496.95 1739.84 592.38 o
8 5 1 4189.65 4100.75 869.36 o
9 5 1 3060.06 2724.96 517.57 o
10 5 1 2550.43 1792.47 847.12 o
11 5 1 2377.24 1949.20 910.34 o
12 5 1 932.19 93.97 1415.24 o
13 5 1 1110.40 1499.22 955.34 o
14 5 1 5333.46 6356.05 1211.04 o
15 5 1 1740.76 1958.16 1423.89 o
0 6 1 149.26 1168.58 962.36 o
1 6 1 927.52 242.60 684.74 o
2 6 1 24678.59 23177.38 1878.23 o
3 6 1 17474.20 17587.56 1045.26 o
4 6 1 4051.19 2959.45 652.71 o
5 6 1 7134.52 5877.31 612.54 o
6 6 1 895.43 1391.37 568.12 o
7 6 1 2777.11 2252.76 620.13 o
8 6 1 18598.98 18379.66 1060.59 o
9 6 1 13.98 952.43 1073.56 o
10 6 1 3391.86 4553.21 1114.73 o
11 6 1 6798.16 7921.29 1231.12 o
12 6 1 4646.23 4708.15 1311.39 o
13 6 1 15005.09 17633.36 1604.26 o
1 7 1 973.88 180.21 912.31 o
2 7 1 2638.14 2228.90 704.52 o
3 7 1 754.27 214.67 780.36 o
4 7 1 14686.06 15511.25 1120.55 o
5 7 1 470.72 -230.44 3519.91 o
6 7 1 688.47 1490.53 1070.61 o
7 7 1 14994.42 15054.22 2557.54 o
8 7 1 3804.03 4235.79 1243.30 o
9 7 1 2228.60 2546.10 1322.06 o
10 7 1 1963.56 2887.11 1307.03 o
11 7 1 394.51 -574.46 2365.47 o
0 8 1 45287.44 56973.56 3360.19 o
1 8 1 92.93 -1064.55 1064.55 o
2 8 1 5.42 474.96 2361.43 o
3 8 1 21.10 3144.83 2573.72 o
4 8 1 1426.23 1428.51 1282.00 o
5 8 1 14484.22 14097.81 1827.68 o
6 8 1 5.96 -170.51 1333.47 o
7 8 1 4952.48 4136.51 2162.68 o
8 8 1 631.60 3627.00 2502.93 o
1 0 2 1362.76 1904.51 121.31 o
2 0 2 788.32 1698.29 165.79 o
3 0 2 9975.00 10893.31 335.61 o
4 0 2 49595.71 46990.05 873.41 o
5 0 2 19324.17 18479.01 436.70 o
6 0 2 18155.53 17613.69 481.18 o
7 0 2 57989.12 57163.61 1059.41 o
8 0 2 53148.72 53103.89 1018.97 o
9 0 2 509.28 934.06 319.44 o
10 0 2 331.86 121.31 363.92 o
11 0 2 2640.64 3566.41 408.40 o
12 0 2 11.82 -238.57 440.75 o
13 0 2 3452.27 3760.50 493.31 o
14 0 2 4822.19 4646.03 602.49 o
15 0 2 21741.29 26727.84 1839.81 o
16 0 2 7707.67 9433.59 1876.21 o
17 0 2 233.51 2587.87 2066.25 o
18 0 2 10964.78 7650.39 3659.41 o
1 1 2 7164.23 8968.94 365.94 o
2 1 2 46362.71 49685.45 760.55 o
3 1 2 72363.47 75992.55 1886.31 o
4 1 2 456752.38 444246.72 7469.17 o
5 1 2 10333.24 10573.93 276.64 o
6 1 2 100560.23 100485.66 1485.09 o
7 1 2 229994.30 234740.75 3410.89 o
8 1 2 169962.03 172974.50 2523.94 o
9 1 2 52026.99 50948.72 897.79 o
10 1 2 3209.83 3343.11 388.18 o
11 1 2 52176.81 54294.11 1187.32 o
12 1 2 1129.03 1489.37 366.53 o
13 1 2 328.17 1121.11 788.49 o
14 1 2 5766.93 5869.74 721.77 o
15 1 2 7649.75 6449.00 830.37 o
16 1 2 62.76 2519.13 2769.83 o
17 1 2 38833.98 40399.15 3879.78 o
0 2 2 76171.52 78913.84 1807.46 o
1 2 2 71872.77 72374.52 2106.69 o
2 2 2 32691.17 33094.57 561.70 o
3 2 2 35790.98 35642.68 582.57 o
4 2 2 18591.09 18636.93 384.14 o
5 2 2 150.86 -124.70 148.07 o
6 2 2 4700.59 4691.32 703.58 o
7 2 2 3589.59 3593.69 299.22 o
8 2 2 949.23 1167.75 446.81 o
9 2 2 6577.22 6430.49 495.33 o
10 2 2 4870.38 4982.53 357.85 o
11 2 2 400.68 833.68 424.57 o
12 2 2 382.75 323.12 457.68 o
13 2 2 136.07 228.48 469.81 o
14 2 2 695.00 541.60 1718.51 o
15 2 2 4328.85 2402.66 883.44 o
16 2 2 154.14 272.27 1200.98 o
17 2 2 5033.11 4939.19 1598.30 o
1 3 2 1386.69 1236.27 343.70 o
2 3 2 106807.60 104840.84 2602.02 o
3 3 2 152.75 -280.92 382.12 o
4 3 2 109819.07 111617.10 1797.99 o
5 3 2 58313.38 62350.96 956.94 o
6 3 2 128945.63 134739.31 4061.74 o
7 3 2 124997.51 128710.03 1940.58 o
8 3 2 131171.47 135776.45 2356.98 o
9 3 2 16679.41 16318.39 577.39 o
10 3 2 1216.60 970.72 424.57 o
11 3 2 86356.42 88656.10 3481.49 o
12 3 2 16687.63 15674.27 1306.07 o
13 3 2 9642.79 10891.94 1399.07 o
14 3 2 16057.56 15982.54 1193.20 o
15 3 2 1050.29 2825.46 1898.44 o
16 3 2 454.49 -139.01 1004.00 o
0 4 2 38535.31 39311.36 1035.15 o
1 4 2 17741.68 17767.89 450.42 o
2 4 2 12232.08 11855.49 403.12 o
3 4 2 19627.03 19646.56 488.61 o
4 4 2 21601.11 21775.99 624.73 o
5 4 2 129.53 61.33 485.23 o
6 4 2 9.24 860.94 339.55 o
7 4 2 3348.40 3227.48 460.96 o
8 4 2 1028.82 1079.11 277.98 o
9 4 2 5676.25 6411.78 1041.21 o
10 4 2 1596.83 1783.56 549.92 o
11 4 2 134.20 -103.54 1111.98 o
12 4 2 154.97 623.90 728.68 o
13 4 2 6.22 -528.29 914.43 o
14 4 2 114.14 1118.90 994.87 o
15 4 2 4773.81 5427.71 1159.57 o
16 4 2 0.55 -1639.66 1639.66 o
1 5 2 1953.93 1368.62 341.68 o
2 5 2 6283.33 5475.48 383.97 o
3 5 2 32951.72 31505.26 831.66 o
4 5 2 151325.36 153973.42 3178.70 o
5 5 2 1443.58 1028.42 355.28 o
6 5 2 28944.36 26976.65 930.24 o
7 5 2 77969.80 75706.79 1938.67 o
8 5 2 62464.77 59422.45 2114.78 o
9 5 2 19768.23 18462.74 768.16 o
10 5 2 2222.65 2447.47 786.14 o
11 5 2 20991.96 19101.66 2519.13 o
12 5 2 1164.30 1928.60 846.84 o
13 5 2 45.84 147.36 981.39 o
14 5 2 1595.28 -960.62 1132.28 o
0 6 2 2004.38 2753.65 1095.80 o
1 6 2 2.96 317.89 674.61 o
2 6 2 993.76 82.49 1314.15 o
3 6 2 6738.68 4883.12 769.66 o
4 6 2 9410.32 8137.52 855.73 o
5 6 2 1483.86 1015.76 832.97 o
6 6 2 3724.63 2934.45 575.05 o
7 6 2 19944.29 20924.97 835.89 o
8 6 2 7610.27 7293.38 799.60 o
9 6 2 1450.84 1828.71 919.71 o
10 6 2 1187.30 2195.37 975.44 o
11 6 2 226.87 -752.53 1234.70 o
12 6 2 416.19 794.73 2796.11 o
13 6 2 8.82 660.85 1744.79 o
1 7 2 6.64 1310.93 1293.93 o
2 7 2 6102.80 5366.85 1443.55 o
3 7 2 7257.60 5283.98 937.17 o
4 7 2 46089.73 46890.97 3289.42 o
5 7 2 1322.66 1515.96 1803.42 o
6 7 2 11031.20 10304.43 2476.67 o
7 7 2 36927.76 41450.44 1989.62 o
8 7 2 34160.43 40813.05 4540.90 o
9 7 2 5169.23 5339.99 1360.98 o
10 7 2 841.43 -353.47 1487.53 o
11 7 2 10588.52 7118.72 2796.08 o
0 8 2 24694.84 27855.99 3222.71 o
1 8 2 5659.92 6842.89 1658.96 o
2 8 2 1011.63 2171.65 2585.85 o
3 8 2 8496.74 8967.23 1380.87 o
4 8 2 5163.61 6049.15 2122.86 o
5 8 2 971.22 1134.79 1574.96 o
6 8 2 51.41 277.96 1310.29 o
7 8 2 551.97 5224.13 2254.28 o
1 1 3 30485.55 30843.89 542.82 o
2 1 3 50705.57 50902.03 833.46 o
3 1 3 82977.30 83716.39 1142.21 o
4 1 3 53048.61 52761.48 799.53 o
5 1 3 13182.18 13303.69 290.49 o
6 1 3 2375.17 1899.38 255.51 o
7 1 3 523.41 531.41 261.61 o
8 1 3 11997.96 12543.32 382.11 o
9 1 3 5541.03 5545.36 315.22 o
10 1 3 5913.55 5892.43 359.96 o
11 1 3 460.52 362.87 329.49 o
12 1 3 1324.28 1559.30 932.04 o
13 1 3 954.02 1406.85 452.30 o
14 1 3 1482.93 2432.63 622.97 o
15 1 3 398.46 1630.04 1016.81 o
16 1 3 5147.87 6309.69 1207.00 o
17 1 3 61.59 207.55 1629.60 o
0 2 3 108247.95 99544.02 2029.86 o
1 2 3 18536.78 17944.86 389.05 o
2 2 3 7460.30 6681.10 242.95 o
3 2 3 329.54 353.14 213.02 o
4 2 3 36.69 132.85 244.65 o
5 2 3 29034.24 29265.32 510.27 o
6 2 3 6497.06 6014.28 321.56 o
7 2 3 16171.02 16041.50 476.04 o
8 2 3 5722.82 4962.23 345.87 o
9 2 3 1199.40 1476.79 297.68 o
10 2 3 1956.49 1701.21 314.51 o
11 2 3 2952.41 1785.27 340.82 o
12 2 3 80.09 318.79 384.14 o
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