#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/12/2201253.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_2201253_Fobs
loop_
_publ_author_name
'Hatscher, Stephan T.'
'Urland, Werner'
_publ_section_title
;
 Lanthanum iodide thiosilicate, La~3~I[SiS~4~]~2~
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i100
_journal_page_last               i102
_journal_volume                  58
_journal_year                    2002
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 97.945
_cell_angle_gamma                90.000
_cell_length_a                   16.1104
_cell_length_b                   7.9175
_cell_length_c                   10.9309
_exptl_crystal_F_000             1520.00
_reflns_d_resolution_high        0.7539
_[local]_cod_data_source_file    br6065Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  SHAT86I  Stoe IPDS measurement 30-Sep-02'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            736.88
_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+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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 4403.38 3975.78 486.96 o
4 0 0 86932.95 89330.26 1681.34 o
6 0 0 354202.47 334483.09 6732.92 o
8 0 0 0.61 174.12 198.16 o
10 0 0 135000.77 133715.20 2368.30 o
12 0 0 17926.34 17830.81 403.98 o
14 0 0 169319.20 182962.42 1639.75 o
16 0 0 43128.20 44302.83 599.70 o
18 0 0 636.99 593.17 442.04 o
20 0 0 94415.77 95317.31 1188.32 o
1 1 0 942.06 1001.28 396.29 o
3 1 0 14744.69 14290.92 368.30 o
5 1 0 130024.76 124782.40 1168.57 o
7 1 0 90133.84 84335.95 882.05 o
9 1 0 48450.05 47272.32 786.33 o
11 1 0 7818.36 7852.76 229.64 o
13 1 0 59260.02 58758.54 460.33 o
15 1 0 19810.84 20069.09 287.78 o
17 1 0 2661.99 2820.92 307.88 o
19 1 0 2208.13 1930.04 378.67 o
21 1 0 4046.24 4089.85 1188.78 o
0 2 0 102921.34 103356.34 1460.02 o
2 2 0 16131.95 15533.79 423.20 o
4 2 0 88409.48 88731.27 1066.79 o
6 2 0 63515.78 60755.56 888.84 o
8 2 0 23549.79 23187.41 279.75 o
10 2 0 44004.38 44898.06 550.71 o
12 2 0 25760.66 25960.61 339.47 o
14 2 0 12572.45 12880.19 266.53 o
16 2 0 3419.54 3358.25 285.37 o
18 2 0 27273.97 28158.58 418.08 o
20 2 0 6725.81 6173.46 405.36 o
1 3 0 38200.32 37064.57 485.66 o
3 3 0 159432.91 155110.88 1026.19 o
5 3 0 4604.87 4626.52 233.03 o
7 3 0 42040.62 42734.75 391.46 o
9 3 0 14553.75 14192.00 277.61 o
11 3 0 446.41 573.55 191.87 o
13 3 0 79682.95 82536.66 871.28 o
15 3 0 2911.44 2901.02 262.25 o
17 3 0 25252.41 24635.79 445.07 o
19 3 0 4111.22 3906.57 396.75 o
0 4 0 99121.65 93593.81 2193.65 o
2 4 0 49570.52 47626.72 712.42 o
4 4 0 7831.47 7323.56 280.74 o
6 4 0 495.84 704.92 289.89 o
8 4 0 93499.81 95514.02 858.57 o
10 4 0 57405.23 58012.94 685.37 o
12 4 0 19615.93 19958.54 467.51 o
14 4 0 468.01 657.98 264.79 o
16 4 0 19181.44 19541.34 378.43 o
18 4 0 19063.29 19632.24 449.71 o
1 5 0 31994.78 31381.86 451.23 o
3 5 0 186346.80 186656.52 3333.41 o
5 5 0 159.10 420.08 259.17 o
7 5 0 181818.70 192241.55 2223.54 o
9 5 0 21907.82 21289.70 293.35 o
11 5 0 9255.82 9149.04 284.96 o
13 5 0 105339.54 110370.27 1227.43 o
15 5 0 825.94 1078.06 317.46 o
17 5 0 33378.41 34268.25 520.15 o
0 6 0 26613.16 25408.78 577.44 o
2 6 0 15515.96 14732.61 342.90 o
4 6 0 72.68 489.29 340.05 o
6 6 0 15406.09 15031.04 319.91 o
8 6 0 3327.63 3430.68 251.33 o
10 6 0 243.53 474.52 278.34 o
12 6 0 1466.68 1658.12 372.59 o
14 6 0 4983.73 4866.48 391.87 o
16 6 0 2073.81 2519.90 501.99 o
1 7 0 18791.77 18895.55 421.48 o
3 7 0 283.98 446.77 395.75 o
5 7 0 50247.52 50301.59 635.11 o
7 7 0 24478.88 24805.67 355.77 o
9 7 0 9811.92 10109.86 323.77 o
11 7 0 29429.97 30162.07 402.28 o
13 7 0 213.79 349.80 425.43 o
15 7 0 19468.80 18423.70 434.43 o
0 8 0 76730.39 73177.40 1377.57 o
2 8 0 2799.05 2733.13 357.26 o
4 8 0 1054.07 1189.30 354.28 o
6 8 0 31190.95 34149.65 688.22 o
8 8 0 6526.33 6692.46 412.63 o
10 8 0 24861.95 24857.58 508.67 o
12 8 0 1001.93 990.25 520.39 o
1 9 0 2645.61 2543.35 386.05 o
3 9 0 7893.96 7889.57 427.51 o
5 9 0 14531.10 14220.02 506.86 o
7 9 0 19004.84 18674.42 437.52 o
9 9 0 675.05 628.44 509.77 o
0 10 0 7900.13 7793.21 710.39 o
2 10 0 3296.20 3213.31 518.11 o
4 10 0 15168.28 14993.14 509.52 o
-21 1 1 23.84 270.52 573.74 o
-19 1 1 5658.95 5755.65 380.09 o
-17 1 1 25371.03 26082.50 446.19 o
-15 1 1 12608.68 12491.40 240.20 o
-13 1 1 24529.01 23860.30 408.43 o
-11 1 1 472.66 516.75 217.38 o
-9 1 1 13223.08 12929.15 242.27 o
-7 1 1 89248.77 81469.37 877.06 o
-5 1 1 2817.79 3204.03 246.34 o
-3 1 1 39775.48 37485.93 1054.28 o
-1 1 1 12027.24 12125.60 668.32 o
1 1 1 4830.96 4602.96 398.95 o
3 1 1 90239.20 92974.55 736.89 o
5 1 1 84328.65 84230.04 546.79 o
7 1 1 41209.15 40225.75 330.08 o
9 1 1 67669.90 67435.21 631.30 o
11 1 1 17163.18 17467.10 294.27 o
13 1 1 59700.55 61126.54 430.08 o
15 1 1 589.67 887.65 258.76 o
17 1 1 541.66 836.38 261.82 o
19 1 1 633.70 757.63 420.39 o
-20 2 1 52714.55 51721.84 693.58 o
-18 2 1 1227.73 1200.31 322.67 o
-16 2 1 42719.93 42726.40 662.12 o
-14 2 1 8958.54 9074.38 281.68 o
-12 2 1 3736.64 3572.42 226.16 o
-10 2 1 146061.72 148210.08 2210.39 o
-8 2 1 3525.16 3443.38 172.84 o
-6 2 1 40290.31 37170.66 504.39 o
-4 2 1 401289.28 417061.03 4937.66 o
-2 2 1 26795.56 25962.94 553.93 o
0 2 1 187310.69 192242.84 3533.01 o
2 2 1 15913.51 14939.19 402.61 o
4 2 1 974.03 1343.53 231.13 o
6 2 1 157699.88 158916.50 1248.76 o
8 2 1 8684.30 8522.61 198.34 o
10 2 1 226064.16 235949.02 4461.83 o
12 2 1 2809.46 3142.75 215.96 o
14 2 1 1321.05 1375.01 233.55 o
16 2 1 86249.84 90430.28 1070.40 o
18 2 1 23685.20 24124.08 422.20 o
20 2 1 30930.87 30064.43 462.15 o
-19 3 1 1895.69 2000.88 502.15 o
-17 3 1 63157.73 65646.05 1133.73 o
-15 3 1 7035.43 7286.49 268.06 o
-13 3 1 7161.96 7366.14 277.67 o
-11 3 1 22931.69 23975.46 323.56 o
-9 3 1 1567.57 1551.77 233.60 o
-7 3 1 21950.93 22438.09 402.01 o
-5 3 1 139.14 261.14 237.81 o
-3 3 1 101442.65 96286.38 642.77 o
-1 3 1 14637.93 14429.35 391.30 o
1 3 1 35794.67 34597.80 462.08 o
3 3 1 256106.28 254169.47 3640.37 o
5 3 1 19727.62 18888.40 356.39 o
7 3 1 9862.32 10107.29 236.05 o
9 3 1 68450.90 71197.61 748.37 o
11 3 1 6483.96 6521.25 225.99 o
13 3 1 72960.16 75672.40 424.30 o
15 3 1 6968.11 6704.62 262.49 o
17 3 1 16275.48 16277.14 382.33 o
19 3 1 9287.01 8517.61 507.53 o
-18 4 1 4915.65 4555.13 377.25 o
-16 4 1 19638.41 20320.53 382.35 o
-14 4 1 637.62 871.68 238.45 o
-12 4 1 38542.03 39397.74 591.50 o
-10 4 1 34792.35 35072.74 383.14 o
-8 4 1 8931.86 8642.61 267.00 o
-6 4 1 6033.91 5923.69 284.41 o
-4 4 1 52657.06 51933.01 436.63 o
-2 4 1 2697.20 2677.60 271.90 o
0 4 1 19929.28 18997.67 357.99 o
2 4 1 98266.17 92465.24 996.19 o
4 4 1 9331.15 8714.36 242.06 o
6 4 1 44112.02 44349.05 751.12 o
8 4 1 4633.83 4848.19 239.57 o
10 4 1 21493.24 20783.92 432.84 o
12 4 1 1516.80 1827.39 239.21 o
14 4 1 9852.34 9834.60 310.36 o
16 4 1 25506.09 25601.03 366.81 o
18 4 1 1588.40 1460.96 462.14 o
-17 5 1 25325.03 25471.08 442.30 o
-15 5 1 6362.40 6193.30 315.97 o
-13 5 1 2217.48 2424.46 292.92 o
-11 5 1 3320.28 3516.48 254.11 o
-9 5 1 236.91 468.21 263.40 o
-7 5 1 43505.87 44750.76 873.85 o
-5 5 1 31017.93 31665.93 729.04 o
-3 5 1 95307.23 96654.56 1486.68 o
-1 5 1 2743.64 2809.16 306.87 o
1 5 1 36865.12 36270.73 608.38 o
3 5 1 20619.15 19753.40 365.57 o
5 5 1 2152.62 2365.11 300.13 o
7 5 1 295.51 451.30 252.74 o
9 5 1 3572.85 3698.53 265.27 o
11 5 1 9638.52 9502.41 274.64 o
13 5 1 6606.09 6494.21 356.91 o
15 5 1 8551.09 8202.47 332.69 o
17 5 1 662.51 578.30 399.75 o
-16 6 1 1411.08 2026.77 471.01 o
-14 6 1 6240.90 6428.44 359.81 o
-12 6 1 60720.00 64412.27 573.00 o
-10 6 1 45579.81 45786.72 417.06 o
-8 6 1 21031.14 20299.43 340.35 o
-6 6 1 355.42 730.79 230.98 o
-4 6 1 27829.80 27363.66 366.74 o
-2 6 1 34985.20 34682.62 705.54 o
0 6 1 28525.46 28076.34 391.01 o
2 6 1 36972.21 36572.87 468.87 o
4 6 1 151.50 302.63 273.04 o
6 6 1 10235.29 10158.61 270.89 o
8 6 1 54839.20 55088.91 439.12 o
10 6 1 51476.41 53353.70 432.52 o
12 6 1 759.02 987.86 372.04 o
14 6 1 15069.66 15716.59 463.54 o
16 6 1 21975.34 21804.59 449.22 o
-15 7 1 860.15 1097.26 411.24 o
-13 7 1 66864.84 69892.73 806.59 o
-11 7 1 10757.36 11100.47 404.73 o
-9 7 1 2030.98 2219.75 342.49 o
-7 7 1 101452.23 106689.63 1129.01 o
-5 7 1 2433.37 2328.75 350.71 o
-3 7 1 58899.26 58293.95 1288.61 o
-1 7 1 24386.91 23353.28 641.17 o
1 7 1 1247.20 1129.89 328.12 o
3 7 1 148165.25 143492.94 3034.19 o
5 7 1 329.09 564.77 316.13 o
7 7 1 29775.47 29676.30 431.91 o
9 7 1 44390.82 45317.63 467.56 o
11 7 1 543.34 400.13 309.09 o
13 7 1 37291.91 37094.04 476.49 o
15 7 1 2799.90 2107.94 501.07 o
-12 8 1 1140.00 928.98 423.23 o
-10 8 1 10001.19 9999.37 432.26 o
-8 8 1 219.80 156.75 324.09 o
-6 8 1 367.49 425.06 373.18 o
-4 8 1 1116.52 1191.12 413.20 o
-2 8 1 652.67 629.92 354.50 o
0 8 1 3459.32 3314.62 321.47 o
2 8 1 4568.78 4470.76 411.03 o
4 8 1 6266.02 6027.44 407.79 o
6 8 1 4872.72 4673.28 394.14 o
8 8 1 3593.91 3617.29 369.16 o
10 8 1 6373.92 6326.66 418.91 o
12 8 1 668.61 617.06 428.06 o
-9 9 1 47786.45 48180.82 766.04 o
-7 9 1 329.91 267.36 382.64 o
-5 9 1 23773.04 23620.51 523.56 o
-3 9 1 7658.12 7205.61 485.93 o
-1 9 1 19636.91 18928.87 515.86 o
1 9 1 12623.78 13011.63 810.26 o
3 9 1 14656.54 14272.48 507.71 o
5 9 1 60246.06 60213.23 614.73 o
7 9 1 102.80 207.77 475.29 o
9 9 1 6605.87 6090.37 472.74 o
-6 10 1 4380.33 3713.79 812.35 o
-4 10 1 14606.49 14585.82 570.53 o
-2 10 1 25663.56 23925.57 807.06 o
0 10 1 39661.27 38866.84 1465.42 o
2 10 1 1156.40 816.18 554.35 o
4 10 1 0.87 70.01 547.27 o
-20 0 2 129231.29 133362.25 1999.50 o
-18 0 2 30.13 60.72 482.62 o
-16 0 2 16996.29 17388.39 448.01 o
-14 0 2 147272.75 151610.69 2342.66 o
-12 0 2 1804.47 1860.26 284.65 o
-10 0 2 348884.69 340264.47 5422.79 o
-8 0 2 61055.74 57908.39 551.25 o
-6 0 2 101197.00 93877.22 1430.18 o
-4 0 2 346047.97 283511.13 4226.79 o
-2 0 2 2439.29 2686.81 494.99 o
0 0 2 245262.98 248984.97 11038.05 o
2 0 2 176053.30 173193.31 2978.61 o
4 0 2 36512.95 36272.75 581.54 o
6 0 2 400710.28 378325.56 1575.22 o
8 0 2 27622.20 25655.56 383.68 o
10 0 2 99308.88 105439.16 1805.54 o
12 0 2 53675.52 53806.43 524.12 o
14 0 2 1420.43 1338.34 338.11 o
16 0 2 158157.23 165898.06 862.62 o
18 0 2 38.37 21.41 420.83 o
20 0 2 40239.48 38115.13 1684.83 o
-21 1 2 4147.09 3225.49 495.66 o
-19 1 2 23324.23 24403.64 716.24 o
-17 1 2 20087.67 20179.31 405.82 o
-15 1 2 22826.13 22581.78 390.54 o
-13 1 2 2616.65 2887.77 239.29 o
-11 1 2 104.57 298.43 192.64 o
-9 1 2 2299.32 2306.32 184.76 o
-7 1 2 49058.39 45911.74 513.56 o
-5 1 2 73112.55 70838.55 604.98 o
-3 1 2 6611.09 6399.19 372.29 o
-1 1 2 72.77 515.83 574.37 o
1 1 2 83360.48 84869.40 888.04 o
3 1 2 40277.01 40890.65 495.42 o
5 1 2 340.44 265.25 186.70 o
7 1 2 2978.69 2924.02 186.59 o
9 1 2 34002.16 34905.66 344.92 o
11 1 2 39131.34 38870.55 333.88 o
13 1 2 8274.38 8788.36 298.68 o
15 1 2 646.59 754.63 238.09 o
17 1 2 5932.87 5794.14 303.96 o
19 1 2 25951.93 26184.18 435.83 o
-20 2 2 7126.89 6878.69 419.53 o
-18 2 2 2382.98 2538.22 305.28 o
-16 2 2 54685.69 56570.89 560.70 o
-14 2 2 22388.39 23344.26 312.02 o
-12 2 2 1085.82 1228.11 192.98 o
-10 2 2 76086.65 77279.18 896.73 o
-8 2 2 31435.62 30994.92 369.93 o
-6 2 2 13259.72 12199.30 277.86 o
-4 2 2 48145.11 46739.37 604.55 o
-2 2 2 168179.31 174279.33 3773.23 o
0 2 2 28211.00 28238.66 532.63 o
2 2 2 34795.60 33336.77 454.06 o
4 2 2 78866.61 76527.48 624.73 o
6 2 2 25011.53 24566.56 421.71 o
8 2 2 17179.97 17176.33 266.01 o
10 2 2 20853.18 21536.96 321.71 o
12 2 2 47186.63 48289.31 539.08 o
14 2 2 7366.00 7445.03 277.76 o
16 2 2 15824.22 16367.49 326.08 o
18 2 2 7449.63 7383.86 355.05 o
20 2 2 6175.64 6034.23 809.55 o
-19 3 2 960.17 945.37 447.78 o
-17 3 2 18319.45 18754.17 348.37 o
-15 3 2 1353.78 1495.37 242.73 o
-13 3 2 31518.52 31314.27 397.34 o
-11 3 2 38653.76 38764.44 480.76 o
-9 3 2 471.32 527.00 249.60 o
-7 3 2 216081.88 227143.14 1593.41 o
-5 3 2 272.42 465.65 214.62 o
-3 3 2 7013.79 6797.54 324.89 o
-1 3 2 90337.75 83432.13 1479.25 o
1 3 2 6401.08 6174.77 285.99 o
3 3 2 116932.91 113230.44 1097.44 o
5 3 2 20589.43 19728.31 299.81 o
7 3 2 53594.90 53972.11 590.37 o
9 3 2 40701.89 41828.32 347.71 o
11 3 2 1642.73 1772.92 205.41 o
13 3 2 45540.18 46547.77 528.78 o
15 3 2 1207.85 1312.75 315.30 o
17 3 2 3628.92 3761.69 344.50 o
19 3 2 36769.16 35775.17 811.33 o
-18 4 2 17294.98 17188.76 404.23 o
-16 4 2 2596.26 2472.20 284.96 o
-14 4 2 26517.07 26825.30 354.63 o
-12 4 2 84573.58 87468.60 811.65 o
-10 4 2 39901.12 41128.56 371.73 o
-8 4 2 3084.11 3045.92 282.64 o
-6 4 2 19814.27 19668.90 335.63 o
-4 4 2 13731.83 14399.62 339.04 o
-2 4 2 61959.52 60247.37 1271.28 o
0 4 2 27835.71 26668.09 463.57 o
2 4 2 31316.95 29590.74 402.10 o
4 4 2 11744.57 11369.19 283.09 o
6 4 2 168311.55 176043.34 743.83 o
8 4 2 94050.86 96821.81 735.74 o
10 4 2 2513.84 2810.94 209.59 o
12 4 2 16975.16 17151.36 366.38 o
14 4 2 48101.11 48894.68 628.94 o
16 4 2 8621.51 8972.37 406.59 o
18 4 2 1711.78 1513.66 429.40 o
-17 5 2 68423.75 70378.07 760.99 o
-15 5 2 2172.92 2194.61 302.65 o
-13 5 2 74659.89 74827.57 680.17 o
-11 5 2 26060.47 26864.58 491.58 o
-9 5 2 6802.78 6723.07 259.37 o
-7 5 2 219460.16 228657.91 1688.29 o
-5 5 2 9.75 260.07 278.85 o
-3 5 2 72670.55 73012.56 690.95 o
-1 5 2 181118.73 176651.58 3597.72 o
1 5 2 566.84 585.29 327.74 o
3 5 2 118986.17 122512.03 1563.66 o
5 5 2 45580.18 44318.52 488.99 o
7 5 2 29176.14 28349.54 339.97 o
9 5 2 65412.49 67184.41 1113.58 o
11 5 2 2215.37 2193.86 299.28 o
13 5 2 106408.15 112358.28 1133.35 o
15 5 2 3188.19 2876.85 403.30 o
17 5 2 4544.20 3515.10 447.17 o
-16 6 2 494.99 436.86 445.77 o
-14 6 2 9871.78 10157.69 377.55 o
-12 6 2 306.20 561.53 365.85 o
-10 6 2 21.44 278.78 310.49 o
-8 6 2 5065.23 5384.60 340.90 o
-6 6 2 4833.29 4965.60 308.70 o
-4 6 2 26.42 241.90 282.81 o
-2 6 2 708.72 755.49 284.43 o
0 6 2 12409.06 12172.07 324.75 o
2 6 2 1185.76 1231.79 278.76 o
4 6 2 3587.30 3529.18 300.43 o
6 6 2 169.28 349.13 303.02 o
8 6 2 21.66 573.88 263.98 o
10 6 2 191.59 535.28 259.68 o
12 6 2 10501.25 10862.99 348.91 o
14 6 2 21.21 167.87 348.79 o
16 6 2 6989.44 6288.77 481.62 o
-15 7 2 22643.49 21659.60 458.38 o
-13 7 2 17098.76 17120.11 429.36 o
-11 7 2 137.43 134.73 308.52 o
-9 7 2 32203.64 34091.28 465.06 o
-7 7 2 594.74 957.20 283.40 o
-5 7 2 39632.43 40787.70 453.96 o
-3 7 2 26334.23 26632.44 397.29 o
-1 7 2 5999.94 5853.56 344.33 o
1 7 2 101906.89 95122.69 2089.44 o
3 7 2 2484.00 2525.72 353.98 o
5 7 2 32523.05 31728.78 398.39 o
7 7 2 3034.65 3131.28 308.98 o
9 7 2 1959.40 2024.45 350.56 o
11 7 2 40963.73 42661.29 472.88 o
13 7 2 1084.51 1091.54 363.49 o
-12 8 2 4012.26 3703.94 463.69 o
-10 8 2 17411.75 17979.49 442.24 o
-8 8 2 2460.69 2481.93 350.39 o
-6 8 2 160.56 218.60 364.48 o
-4 8 2 64088.59 66773.48 919.34 o
-2 8 2 40022.58 39251.16 793.06 o
0 8 2 52508.08 49622.99 1241.92 o
2 8 2 4088.78 4002.56 388.90 o
4 8 2 7875.70 7676.16 343.42 o
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