#------------------------------------------------------------------------------
#$Date: 2009-05-13 10:52:48 +0300 (Wed, 13 May 2009) $
#$Revision: 717 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2104312.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_2104312_Fobs
loop_
_publ_author_name
'Daszkiewicz, Marek'
'Gulay, Lubomir D.'
'Lychmanyuk, Olga S.'
_publ_section_title
;
 Ln~3~<i>M</i>~1{-~\d}<i>TX</i>~7~ -- quasi-isostructural compounds:
 stereochemistry and silver-ion motion in the Ln~3~Ag~1{-~\d}GeS~7~ (Ln
 = La--Nd, Sm, Gd--Er and Y; \d = 0.11--0.50) compounds
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              126
_journal_page_last               133
_journal_volume                  65
_journal_year                    2009
_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                   9.6921
_cell_length_b                   9.6921
_cell_length_c                   5.8308
_exptl_crystal_F_000             790.00
_reflns_d_resolution_high        0.8000
_[local]_cod_data_source_file    bp5017ersup11.hkl
_[local]_cod_data_source_block   er
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Er3AgGeS7 in P6(3)'
_shelx_refln_list_code           4
_shelx_F_calc_maximum            366.45
_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 1 -7 2183.26 2014.71 75.47 o
-1 2 -7 567.48 486.05 50.21 o
0 2 -7 3092.42 2617.75 96.15 o
-2 3 -7 140.88 101.59 32.77 o
-1 3 -7 783.52 677.04 55.49 o
0 0 -6 3302.25 3362.08 133.99 o
0 2 -6 3025.70 2610.54 54.03 o
-2 3 -6 8385.81 8635.44 171.87 o
-1 3 -6 205.71 288.61 34.09 o
-3 4 -6 2329.81 2755.30 192.43 o
-2 4 -6 2611.35 2855.92 111.02 o
0 4 -6 692.74 510.82 47.40 o
-3 5 -6 658.69 659.85 41.17 o
-2 5 -6 631.12 454.37 44.01 o
-1 5 -6 1255.39 1216.25 63.21 o
0 5 -6 2319.13 2403.59 98.99 o
-4 6 -6 374.13 380.67 37.82 o
-3 6 -6 5485.40 4838.83 105.64 o
-2 6 -6 137.25 149.56 33.14 o
-1 6 -6 9433.62 9297.26 207.13 o
0 1 -5 7042.69 7010.90 98.61 o
-1 2 -5 2392.95 2352.35 48.04 o
0 2 -5 8889.70 8850.64 141.16 o
-2 3 -5 2614.44 2578.74 53.38 o
-1 3 -5 4001.07 4065.19 87.14 o
0 3 -5 2368.86 2377.36 38.71 o
-3 4 -5 979.97 963.97 34.17 o
-2 4 -5 158.87 170.31 20.70 o
-1 4 -5 15139.22 15214.83 201.42 o
0 4 -5 1376.12 1391.45 32.80 o
-4 5 -5 10794.03 10767.62 170.85 o
-3 5 -5 823.64 789.01 29.46 o
-2 5 -5 10334.78 10042.99 117.67 o
-1 5 -5 637.15 597.93 32.36 o
0 5 -5 460.86 464.98 30.98 o
-5 6 -5 2781.80 2894.23 57.50 o
-4 6 -5 575.50 580.04 30.64 o
-3 6 -5 6461.96 6355.58 98.42 o
-2 6 -5 1740.38 1794.55 61.41 o
-1 6 -5 1611.42 1499.40 39.47 o
0 6 -5 794.65 770.44 38.01 o
-6 7 -5 15237.96 15453.34 257.18 o
-5 7 -5 582.06 580.12 36.72 o
-4 7 -5 656.37 710.45 40.26 o
-3 7 -5 428.75 347.90 31.37 o
-2 7 -5 3806.80 3825.68 61.36 o
-1 7 -5 292.93 240.77 30.66 o
0 7 -5 285.58 293.40 37.28 o
-7 8 -5 639.33 679.09 47.88 o
-6 8 -5 1047.92 951.15 50.96 o
-5 8 -5 428.27 420.53 34.57 o
-4 8 -5 936.57 855.25 42.60 o
-3 8 -5 9954.34 10165.39 209.57 o
-2 8 -5 1406.81 1287.96 49.92 o
-1 8 -5 6215.73 6034.62 176.88 o
0 0 -4 70506.27 73980.36 1035.72 o
0 1 -4 807.61 949.85 19.27 o
-1 2 -4 6783.12 6825.59 93.59 o
0 2 -4 3657.03 3772.48 78.44 o
-2 3 -4 12021.45 11663.67 112.69 o
-1 3 -4 18.98 48.02 12.39 o
0 3 -4 4871.35 4878.07 55.14 o
-3 4 -4 16385.30 16545.17 173.45 o
-2 4 -4 20010.33 20301.94 262.73 o
-1 4 -4 3147.42 3118.63 48.97 o
0 4 -4 4367.04 4486.95 57.57 o
-4 5 -4 7167.77 7276.12 106.41 o
-3 5 -4 1496.86 1724.27 39.20 o
-2 5 -4 4952.41 5075.43 65.93 o
-1 5 -4 791.69 649.89 22.45 o
0 5 -4 1337.91 1225.50 34.44 o
-5 6 -4 532.79 604.40 25.94 o
-4 6 -4 1075.41 1266.94 30.11 o
-3 6 -4 854.28 974.96 37.32 o
-2 6 -4 1043.22 1097.23 29.19 o
-1 6 -4 23380.37 23678.76 248.50 o
0 6 -4 1283.88 1052.45 30.52 o
-6 7 -4 6105.24 6575.01 114.95 o
-5 7 -4 1488.25 1331.46 43.30 o
-4 7 -4 13578.28 13724.25 175.10 o
-3 7 -4 1380.63 1432.36 31.24 o
-2 7 -4 902.07 862.59 37.59 o
-1 7 -4 1206.52 1411.18 39.49 o
0 7 -4 1561.08 1695.58 36.43 o
-7 8 -4 929.86 901.03 38.35 o
-6 8 -4 1472.24 1480.52 40.58 o
-5 8 -4 9844.05 10048.61 170.37 o
-4 8 -4 708.20 531.05 32.87 o
-3 8 -4 2072.03 2150.70 42.30 o
-2 8 -4 1425.94 1584.57 47.42 o
-1 8 -4 3669.21 3762.99 63.67 o
0 8 -4 3641.56 3649.26 93.89 o
-8 9 -4 7573.83 7768.21 92.68 o
-7 9 -4 859.51 826.66 52.16 o
-6 9 -4 2461.60 2478.64 49.79 o
-5 9 -4 2294.57 2428.95 69.91 o
-4 9 -4 544.41 568.43 39.40 o
-3 9 -4 5426.43 5935.37 282.00 o
-2 9 -4 2782.78 2929.53 56.82 o
-1 9 -4 1397.93 1538.92 58.22 o
-6 10 -4 2454.31 2637.91 75.28 o
-5 10 -4 986.36 988.15 55.83 o
-4 10 -4 316.65 357.96 49.91 o
0 1 -3 5353.53 5008.72 139.07 o
-1 2 -3 5255.85 5232.50 41.78 o
0 2 -3 43229.23 44450.38 541.10 o
-2 3 -3 5235.01 5339.46 38.71 o
-1 3 -3 1682.85 1714.76 20.65 o
0 3 -3 10262.11 10260.57 94.12 o
-3 4 -3 2552.68 2521.35 28.70 o
-2 4 -3 56.16 119.83 13.08 o
-1 4 -3 23325.47 23331.40 151.52 o
0 4 -3 18103.73 17948.99 129.41 o
-4 5 -3 26748.36 27641.57 331.43 o
-3 5 -3 867.07 847.35 20.00 o
-2 5 -3 12261.60 12337.76 139.64 o
-1 5 -3 1091.31 1035.46 21.66 o
0 5 -3 5609.32 5579.20 52.00 o
-5 6 -3 2233.28 2170.93 44.57 o
-4 6 -3 10109.95 10135.67 105.07 o
-3 6 -3 16032.46 16177.20 166.65 o
-2 6 -3 7723.69 7766.47 114.86 o
-1 6 -3 2403.70 2390.08 34.52 o
0 6 -3 2416.71 2419.09 36.07 o
-6 7 -3 24896.17 26202.89 380.63 o
-5 7 -3 1694.73 1660.61 37.11 o
-4 7 -3 1940.51 2074.14 32.72 o
-3 7 -3 7137.63 7373.49 89.94 o
-2 7 -3 8381.93 8561.43 103.82 o
-1 7 -3 6813.20 6834.18 95.66 o
0 7 -3 985.10 1046.65 31.34 o
-7 8 -3 2051.13 2151.01 46.12 o
-6 8 -3 244.38 291.06 23.70 o
-5 8 -3 1789.05 1818.84 34.00 o
-4 8 -3 212.21 255.10 24.66 o
-3 8 -3 16905.96 18035.74 243.34 o
-2 8 -3 3074.12 3142.49 50.68 o
-1 8 -3 16779.83 17587.74 187.86 o
0 8 -3 1074.83 1014.45 38.07 o
-8 9 -3 111.21 111.68 33.65 o
-7 9 -3 7172.07 7539.40 178.73 o
-6 9 -3 10501.83 10999.52 244.42 o
-5 9 -3 11592.07 11971.97 210.10 o
-4 9 -3 4113.63 4351.14 118.08 o
-3 9 -3 180.62 235.32 27.82 o
-2 9 -3 1270.36 1467.58 43.07 o
-1 9 -3 4291.03 4317.08 93.25 o
0 9 -3 176.76 150.53 30.55 o
-9 10 -3 1436.40 1611.17 138.63 o
-8 10 -3 3096.47 3092.52 69.65 o
-7 10 -3 844.05 958.74 50.37 o
-6 10 -3 1052.45 1105.71 46.48 o
-5 10 -3 3399.96 3538.50 91.10 o
-4 10 -3 83.08 111.41 28.25 o
-3 10 -3 840.52 836.73 40.03 o
-2 10 -3 4226.32 4781.46 113.81 o
-1 10 -3 7857.83 8508.54 199.16 o
-6 11 -3 432.46 424.68 48.10 o
-5 11 -3 9313.59 9487.28 113.80 o
0 0 -2 91282.15 94485.45 3820.22 o
0 1 -2 2969.84 3607.89 40.71 o
-1 2 -2 18959.52 18927.71 160.48 o
0 2 -2 49386.48 50315.47 372.32 o
-2 3 -2 28522.41 29984.67 231.42 o
-1 3 -2 1732.66 1536.24 21.79 o
0 3 -2 7645.86 7409.95 65.64 o
-3 4 -2 9615.41 9898.89 99.07 o
-2 4 -2 41482.92 42642.80 438.75 o
-1 4 -2 18984.18 18723.38 156.20 o
0 4 -2 17065.65 16896.82 126.60 o
-4 5 -2 9533.66 9492.97 103.30 o
-3 5 -2 1494.44 1608.26 23.66 o
-2 5 -2 6179.99 6018.78 55.77 o
-1 5 -2 3701.02 3501.44 37.83 o
0 5 -2 2870.76 3083.71 32.55 o
-5 6 -2 19992.55 20244.12 135.50 o
-4 6 -2 1052.33 1075.59 30.73 o
-3 6 -2 10712.77 10743.83 130.14 o
-2 6 -2 1584.97 1500.30 26.37 o
-1 6 -2 32068.02 33398.04 383.87 o
0 6 -2 5528.64 5514.96 52.22 o
-6 7 -2 12687.67 13159.24 192.69 o
-5 7 -2 6636.89 6682.11 96.13 o
-4 7 -2 25385.35 26712.65 344.27 o
-3 7 -2 5953.04 6112.40 75.79 o
-2 7 -2 3638.92 3820.48 82.72 o
-1 7 -2 558.43 587.10 24.27 o
0 7 -2 4160.37 4306.92 60.00 o
-7 8 -2 1416.76 1524.50 52.06 o
-6 8 -2 4644.52 4780.73 107.49 o
-5 8 -2 2913.82 2953.29 58.28 o
-4 8 -2 2137.34 2203.32 69.71 o
-3 8 -2 13187.93 13988.57 235.81 o
-2 8 -2 1374.06 1373.24 41.09 o
-1 8 -2 3163.38 3247.20 67.30 o
0 8 -2 6315.44 6508.18 101.08 o
-8 9 -2 16959.41 17063.64 384.27 o
-7 9 -2 1732.68 1670.32 47.93 o
-6 9 -2 4920.15 4917.66 77.66 o
-5 9 -2 2759.21 2919.21 83.39 o
-4 9 -2 6725.26 7032.81 139.79 o
-3 9 -2 12089.45 12603.01 285.93 o
-2 9 -2 564.31 545.74 33.96 o
-1 9 -2 2947.46 3223.56 78.88 o
0 9 -2 1369.57 1363.23 51.01 o
-9 10 -2 544.76 582.64 45.47 o
-8 10 -2 4746.72 4975.65 150.24 o
-7 10 -2 1041.85 1056.35 51.54 o
-6 10 -2 2782.68 2654.57 60.34 o
-5 10 -2 2759.93 3086.86 97.80 o
-4 10 -2 618.59 555.09 30.26 o
-3 10 -2 9022.73 8951.51 165.65 o
-2 10 -2 1841.55 1947.97 49.60 o
-1 10 -2 3291.31 3471.19 63.45 o
0 10 -2 5273.57 5802.51 126.69 o
-8 11 -2 1923.45 2121.96 80.50 o
-7 11 -2 16912.46 16612.44 370.82 o
-6 11 -2 3657.46 3516.97 87.14 o
-5 11 -2 3993.81 4175.08 112.42 o
-4 11 -2 4932.90 5179.77 158.55 o
-3 11 -2 2590.56 2707.19 73.51 o
0 1 -1 5919.25 6347.35 76.81 o
-1 2 -1 9599.30 9897.12 116.32 o
0 2 -1 69979.94 72957.63 948.54 o
-2 3 -1 3232.30 3467.26 46.31 o
-1 3 -1 1362.70 1519.05 18.77 o
0 3 -1 19685.65 20376.59 192.93 o
-3 4 -1 799.81 845.60 17.56 o
-2 4 -1 364.06 402.28 11.78 o
-1 4 -1 36121.89 36642.33 301.16 o
0 4 -1 29809.25 30738.56 356.04 o
-4 5 -1 47655.61 49393.16 681.46 o
-3 5 -1 1950.67 1955.96 25.06 o
-2 5 -1 18189.60 18389.04 173.44 o
-1 5 -1 738.34 784.22 16.94 o
0 5 -1 11888.78 12123.14 138.86 o
-5 6 -1 1024.76 1031.30 25.30 o
-4 6 -1 14503.22 14814.64 261.02 o
-3 6 -1 26596.64 27166.07 387.16 o
-2 6 -1 18959.40 19258.89 266.43 o
-1 6 -1 333.30 327.40 16.48 o
0 6 -1 2157.98 2222.68 44.56 o
-6 7 -1 34322.97 34043.04 655.95 o
-5 7 -1 3498.28 3598.71 72.01 o
-4 7 -1 595.53 619.13 31.66 o
-3 7 -1 15793.40 16458.73 215.13 o
-2 7 -1 14092.04 14038.46 234.74 o
-1 7 -1 12755.43 12912.20 209.71 o
0 7 -1 987.47 961.77 32.78 o
-7 8 -1 3740.26 3804.07 111.92 o
-6 8 -1 645.49 613.53 31.62 o
-5 8 -1 748.78 773.07 33.92 o
-4 8 -1 1388.85 1335.09 40.86 o
-3 8 -1 22715.83 23081.91 322.51 o
-2 8 -1 868.09 871.20 27.61 o
-1 8 -1 25485.10 25857.90 620.71 o
0 8 -1 2561.67 2544.22 81.40 o
-8 9 -1 834.30 759.03 35.86 o
-7 9 -1 12986.12 12825.56 279.56 o
-6 9 -1 14214.06 14027.72 309.04 o
-5 9 -1 15716.15 15330.06 296.31 o
-4 9 -1 4060.20 4041.70 56.25 o
-3 9 -1 220.49 251.07 25.84 o
-2 9 -1 1624.77 1565.70 43.55 o
-1 9 -1 6703.69 6591.35 179.79 o
0 9 -1 100.51 182.65 37.11 o
-9 10 -1 3433.93 3306.60 99.95 o
-8 10 -1 3721.67 3767.36 92.05 o
-7 10 -1 437.69 397.24 32.50 o
-6 10 -1 83.95 99.72 26.40 o
-5 10 -1 5205.36 4938.46 151.97 o
-4 10 -1 564.98 534.08 33.20 o
-3 10 -1 250.95 302.91 30.87 o
-2 10 -1 6239.41 6170.57 148.56 o
-1 10 -1 9242.95 8999.91 248.78 o
0 10 -1 4980.11 5159.39 198.52 o
-9 11 -1 5859.40 5856.15 207.92 o
-8 11 -1 4604.51 4259.24 118.62 o
-7 11 -1 489.55 448.74 37.70 o
-6 11 -1 100.52 128.73 28.31 o
-5 11 -1 15540.59 15501.95 428.95 o
-4 11 -1 44.22 67.48 29.70 o
-3 11 -1 13648.95 13748.33 386.67 o
-2 11 -1 855.67 989.32 77.51 o
-6 12 -1 92.46 79.80 29.59 o
-1 2 0 399.85 1005.50 41.97 o
0 2 0 19717.11 22465.90 587.33 o
-2 3 0 28590.74 26850.37 785.94 o
-1 3 0 652.78 1206.10 18.18 o
0 3 0 168.80 508.47 23.64 o
-3 4 0 44347.91 42513.25 677.29 o
-2 4 0 134285.69 135555.39 2740.19 o
-1 4 0 14141.38 15304.42 194.06 o
0 4 0 18063.21 18930.92 313.44 o
-4 5 0 1160.31 1405.30 28.09 o
-2 5 0 11107.81 11925.51 153.43 o
-1 5 0 13516.79 12715.14 178.39 o
0 5 0 1641.33 1393.36 23.23 o
-5 6 0 2733.87 2926.32 38.24 o
-4 6 0 591.99 692.86 19.85 o
-3 6 0 2993.31 2658.04 35.50 o
-2 6 0 3561.70 3789.75 33.38 o
-1 6 0 50829.66 48928.66 598.83 o
0 6 0 12005.75 11087.97 196.89 o
-6 7 0 19789.80 19654.98 275.55 o
-5 7 0 16207.60 15123.72 176.54 o
-4 7 0 32948.43 31560.30 425.08 o
-3 7 0 5410.12 5560.84 57.44 o
-2 7 0 630.21 528.89 20.27 o
-1 7 0 1265.86 1047.65 32.75 o
0 7 0 3589.19 3489.20 66.44 o
-7 8 0 9281.91 8844.17 207.72 o
-6 8 0 6350.34 6211.15 110.43 o
-5 8 0 17758.27 16518.36 203.11 o
-4 8 0 3042.45 2900.16 76.99 o
-3 8 0 8907.70 8810.56 113.71 o
-2 8 0 3720.58 3672.66 56.32 o
-1 8 0 211.09 155.15 21.03 o
0 8 0 8438.98 8225.29 183.70 o
-8 9 0 15470.52 15325.45 336.95 o
-7 9 0 3457.24 3253.15 68.13 o
-6 9 0 419.82 383.79 28.35 o
-5 9 0 6043.16 6036.67 142.81 o
-4 9 0 2715.24 2682.59 45.17 o
-3 9 0 26750.15 26672.14 395.20 o
-2 9 0 5741.02 5590.00 86.05 o
-1 9 0 1594.52 1543.44 39.03 o
0 9 0 10423.69 10432.77 315.11 o
-9 10 0 491.74 426.34 43.17 o
-8 10 0 48.17 69.26 25.73 o
-7 10 0 71.00 86.72 27.12 o
-6 10 0 5148.54 5105.96 135.97 o
-5 10 0 104.78 121.18 21.53 o
-4 10 0 223.33 239.49 38.28 o
-3 10 0 10193.64 9837.15 136.01 o
-2 10 0 9.95 41.53 25.33 o
-1 10 0 6212.14 5922.58 225.67 o
0 10 0 3179.50 2797.85 73.47 o
-9 11 0 2737.24 2629.85 83.86 o
-8 11 0 3106.15 2957.94 135.58 o
-7 11 0 28120.66 28607.84 1352.86 o
-6 11 0 9455.14 9268.21 299.94 o
-5 11 0 7602.63 7562.69 238.72 o
-4 11 0 491.25 475.68 60.08 o
-3 11 0 5227.81 4884.63 117.19 o
-2 11 0 194.12 248.22 75.69 o
-7 12 0 245.08 298.71 48.94 o
-6 12 0 58.16 54.15 32.09 o
-5 12 0 484.98 409.65 64.05 o
-1 2 1 10123.14 10233.96 881.37 o
0 2 1 70471.70 66790.42 472.44 o
-2 3 1 3027.04 3063.86 61.14 o
-1 3 1 1678.19 1827.60 23.65 o
0 3 1 20659.52 20304.39 379.49 o
-3 4 1 748.16 761.87 20.10 o
-2 4 1 368.33 438.55 34.66 o
-1 4 1 35579.23 35137.95 558.16 o
0 4 1 28418.98 27705.68 405.84 o
-4 5 1 48849.36 47000.85 633.75 o
-3 5 1 2012.70 1991.45 31.00 o
-2 5 1 16918.07 16577.91 166.36 o
-1 5 1 812.66 897.39 26.64 o
0 5 1 10680.67 10380.61 108.20 o
-5 6 1 1128.43 1033.15 32.01 o
-4 6 1 13725.13 12986.16 211.15 o
-3 6 1 26616.54 25900.70 309.90 o
-2 6 1 19754.87 19721.43 241.31 o
-1 6 1 517.31 561.63 20.85 o
0 6 1 1817.96 1834.84 48.57 o
-6 7 1 35476.80 34870.18 635.40 o
-5 7 1 3293.19 3089.22 67.94 o
-4 7 1 456.82 493.86 28.39 o
-3 7 1 15506.69 15368.87 196.38 o
-2 7 1 14694.06 14461.52 160.61 o
-1 7 1 12094.81 11873.74 122.02 o
0 7 1 869.22 880.95 33.33 o
-7 8 1 3636.19 3437.47 48.22 o
-6 8 1 541.27 525.03 24.88 o
-5 8 1 706.81 754.78 32.74 o
-4 8 1 1429.53 1322.06 44.09 o
-3 8 1 23197.36 22788.60 440.39 o
-2 8 1 847.21 777.57 35.32 o
-1 8 1 23956.14 23642.71 394.45 o
0 8 1 2715.41 2498.26 53.22 o
-8 9 1 1050.94 1006.81 44.40 o
-7 9 1 13641.14 13002.81 412.82 o
-6 9 1 13631.90 13247.31 328.36 o
-5 9 1 14091.34 13875.72 189.10 o
-4 9 1 4438.00 4144.68 79.91 o
-3 9 1 278.29 346.40 34.23 o
-2 9 1 1472.30 1331.68 61.13 o
-1 9 1 6287.32 6056.07 194.36 o
0 9 1 73.16 117.56 28.60 o
-9 10 1 3270.93 3090.38 109.76 o
-8 10 1 3812.94 3823.74 218.42 o
-7 10 1 447.80 414.72 42.97 o
-6 10 1 43.10 54.32 28.45 o
-5 10 1 5419.33 5400.62 131.18 o
-4 10 1 513.19 523.02 45.24 o
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