#------------------------------------------------------------------------------
#$Date: 2016-04-02 23:01:28 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180903 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/43/2104303.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_2104303_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_coeditor_code           BP5017
_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                   10.4056
_cell_length_b                   10.4056
_cell_length_c                   5.8280
_exptl_crystal_F_000             724.00
_reflns_d_resolution_high        0.8004
_cod_data_source_file            bp5017lasup2.hkl
_cod_data_source_block           la
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  La3AgGeS7 in P6(3)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            287.85
_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 3031.25 3085.30 113.73 o
-1 2 -7 1775.09 1813.67 100.21 o
0 2 -7 4035.66 4155.26 94.17 o
-2 3 -7 31.85 47.31 52.80 o
-1 3 -7 210.45 214.99 74.22 o
0 3 -7 1397.64 1407.61 86.99 o
0 0 -6 13346.75 14182.88 229.44 o
0 1 -6 2162.84 2241.06 47.90 o
-1 2 -6 8117.19 8288.01 149.02 o
0 2 -6 5175.35 5321.24 76.21 o
-2 3 -6 12319.24 12604.88 116.56 o
-1 3 -6 560.41 609.32 45.13 o
0 3 -6 1136.29 1189.81 60.50 o
-3 4 -6 8283.11 8399.16 99.81 o
-2 4 -6 2591.79 2601.98 79.30 o
-1 4 -6 4225.46 4306.70 75.94 o
0 4 -6 1038.54 1093.55 64.36 o
-4 5 -6 3702.07 3786.36 81.20 o
-3 5 -6 819.27 872.10 74.68 o
-2 5 -6 955.72 938.61 76.59 o
-1 5 -6 1790.27 1810.82 76.18 o
0 5 -6 164.69 225.67 53.43 o
-5 6 -6 2849.62 2938.55 109.95 o
-4 6 -6 1138.65 1271.70 93.79 o
-3 6 -6 8606.17 8663.50 126.78 o
-2 6 -6 1724.34 1721.59 93.01 o
-1 6 -6 15645.99 15839.17 241.34 o
0 6 -6 1512.41 1345.27 77.98 o
-5 7 -6 4621.85 4670.17 144.71 o
-4 7 -6 4401.13 4354.75 121.00 o
-3 7 -6 2068.58 2075.60 146.32 o
-2 7 -6 674.95 658.79 88.96 o
0 1 -5 6226.92 6275.07 57.37 o
-1 2 -5 4428.01 4380.44 48.72 o
0 2 -5 4782.31 4819.39 91.13 o
-2 3 -5 2552.42 2483.50 43.99 o
-1 3 -5 1763.36 1749.61 42.78 o
0 3 -5 5521.53 5640.69 74.29 o
-3 4 -5 797.21 779.50 42.64 o
-2 4 -5 328.84 323.18 36.18 o
-1 4 -5 26514.03 26944.89 158.32 o
0 4 -5 4.93 66.36 25.80 o
-4 5 -5 14697.77 14691.21 136.65 o
-3 5 -5 507.82 474.53 43.83 o
-2 5 -5 8314.00 8405.61 92.58 o
-1 5 -5 440.46 406.53 44.27 o
0 5 -5 1438.70 1381.82 70.51 o
-5 6 -5 4043.67 3995.37 75.86 o
-4 6 -5 474.60 479.55 57.74 o
-3 6 -5 10224.84 10050.18 127.29 o
-2 6 -5 1576.34 1531.70 57.29 o
-1 6 -5 2738.66 2776.97 92.19 o
0 6 -5 3171.92 3227.10 88.36 o
-6 7 -5 22981.80 23387.41 227.24 o
-5 7 -5 538.74 552.23 62.12 o
-4 7 -5 2226.52 2070.89 74.01 o
-3 7 -5 5089.22 4961.03 98.26 o
-2 7 -5 876.42 860.24 62.04 o
-1 7 -5 409.33 378.41 53.43 o
0 7 -5 1827.14 1851.72 78.66 o
-7 8 -5 77.54 58.54 43.86 o
-6 8 -5 3180.50 3224.34 98.96 o
-5 8 -5 1311.54 1266.31 88.81 o
-4 8 -5 2957.87 2851.30 103.20 o
-3 8 -5 15248.49 15144.46 171.44 o
-2 8 -5 11588.90 11776.26 120.00 o
-1 8 -5 5316.28 5415.29 87.93 o
0 8 -5 277.20 254.22 70.66 o
-7 9 -5 6795.13 6991.16 164.90 o
-6 9 -5 315.49 307.43 64.51 o
-5 9 -5 4104.17 4167.51 109.90 o
-4 9 -5 1873.41 1996.29 94.30 o
-3 9 -5 82.70 88.14 59.35 o
-2 9 -5 227.75 201.84 55.44 o
0 1 -4 1531.11 1494.50 26.69 o
-1 2 -4 6917.84 7080.51 65.50 o
0 2 -4 4510.61 4491.26 43.83 o
-2 3 -4 13482.60 13426.00 176.01 o
-1 3 -4 1222.97 1236.82 26.26 o
0 3 -4 1699.36 1727.13 30.19 o
-3 4 -4 33586.56 33429.12 402.11 o
-2 4 -4 10678.72 10558.33 88.52 o
-1 4 -4 6884.16 7027.98 65.31 o
0 4 -4 3964.90 3891.06 60.70 o
-4 5 -4 4309.33 4233.12 65.67 o
-3 5 -4 1253.37 1248.47 39.57 o
-2 5 -4 4091.89 4077.05 53.60 o
-1 5 -4 1043.88 1010.94 40.01 o
0 5 -4 312.11 437.29 77.52 o
-5 6 -4 1260.67 1282.17 43.17 o
-4 6 -4 695.85 692.91 38.15 o
-3 6 -4 1734.42 1740.23 46.85 o
-2 6 -4 476.62 485.69 38.12 o
-1 6 -4 23360.57 22810.69 195.07 o
0 6 -4 1342.68 1354.12 45.05 o
-6 7 -4 5738.74 5692.26 78.00 o
-5 7 -4 8959.74 8769.12 90.94 o
-4 7 -4 7950.87 7839.28 111.05 o
-3 7 -4 5063.44 4957.10 82.72 o
-2 7 -4 652.69 667.46 50.14 o
-1 7 -4 1546.28 1501.39 55.38 o
0 7 -4 1741.19 1781.09 60.22 o
-7 8 -4 355.24 387.45 54.71 o
-6 8 -4 463.65 501.85 48.11 o
-5 8 -4 7747.05 7737.08 81.24 o
-4 8 -4 3712.20 3718.53 95.13 o
-3 8 -4 2655.45 2709.05 69.03 o
-2 8 -4 1686.19 1731.36 64.03 o
-1 8 -4 1062.24 1116.04 70.87 o
0 8 -4 15509.55 15264.73 207.73 o
-8 9 -4 1260.65 1152.05 67.65 o
-7 9 -4 3834.55 3882.30 86.47 o
-6 9 -4 813.56 796.13 66.51 o
-5 9 -4 4981.41 5066.64 80.60 o
-4 9 -4 1898.25 1897.72 80.29 o
-3 9 -4 7383.14 7313.58 97.55 o
-2 9 -4 1504.29 1539.72 86.41 o
-1 9 -4 565.88 539.87 69.97 o
0 9 -4 3856.45 3804.23 109.51 o
-8 10 -4 537.84 525.77 90.91 o
-7 10 -4 4588.16 4739.20 100.20 o
-6 10 -4 3252.46 3316.23 96.40 o
-5 10 -4 2259.72 2351.91 91.50 o
-4 10 -4 5995.96 5929.06 198.58 o
-3 10 -4 1685.86 1613.82 86.01 o
-2 10 -4 4669.14 4923.40 121.89 o
0 1 -3 4267.14 4281.92 55.69 o
-1 2 -3 6546.89 6669.97 102.67 o
0 2 -3 22989.28 22908.66 193.06 o
-2 3 -3 7541.47 7416.82 68.52 o
-1 3 -3 3390.47 3385.11 30.55 o
0 3 -3 6839.72 6811.67 44.83 o
-3 4 -3 2605.48 2566.62 31.35 o
-2 4 -3 864.37 857.84 20.24 o
-1 4 -3 29585.91 29683.54 228.02 o
0 4 -3 7149.55 7117.04 73.91 o
-4 5 -3 22917.47 22834.00 146.52 o
-3 5 -3 6832.74 6853.49 51.51 o
-2 5 -3 7188.08 7222.53 80.59 o
-1 5 -3 495.57 511.12 27.39 o
0 5 -3 13036.65 13104.87 87.86 o
-5 6 -3 2634.74 2593.46 42.63 o
-4 6 -3 3902.34 3817.43 51.44 o
-3 6 -3 17136.38 16843.22 91.26 o
-2 6 -3 3128.23 3126.00 41.94 o
-1 6 -3 1370.64 1407.21 55.49 o
0 6 -3 7269.58 7103.63 74.26 o
-6 7 -3 22087.24 22075.96 175.00 o
-5 7 -3 1112.78 1138.63 35.38 o
-4 7 -3 1908.70 1863.10 36.38 o
-3 7 -3 14146.27 14049.42 101.23 o
-2 7 -3 996.71 972.86 33.10 o
-1 7 -3 5421.44 5406.46 73.04 o
0 7 -3 11435.55 11544.15 100.41 o
-7 8 -3 146.95 164.45 32.60 o
-6 8 -3 1687.97 1661.79 44.33 o
-5 8 -3 1542.87 1504.90 44.12 o
-4 8 -3 6067.61 6011.51 62.75 o
-3 8 -3 14375.69 14357.08 94.71 o
-2 8 -3 9349.25 9548.38 104.15 o
-1 8 -3 11926.61 12103.61 236.82 o
0 8 -3 670.94 567.26 63.61 o
-8 9 -3 622.81 720.64 57.28 o
-7 9 -3 13867.81 14159.69 200.80 o
-6 9 -3 1044.89 1086.00 54.70 o
-5 9 -3 21512.77 21834.90 183.88 o
-4 9 -3 1216.51 1208.67 54.77 o
-3 9 -3 209.02 242.15 40.98 o
-2 9 -3 1123.78 1124.21 58.76 o
-1 9 -3 4678.47 4820.05 100.28 o
0 9 -3 1054.40 1042.84 66.34 o
-9 10 -3 1231.35 1134.86 86.83 o
-8 10 -3 3021.70 3080.91 111.00 o
-7 10 -3 701.46 717.60 67.56 o
-6 10 -3 2435.61 2556.38 71.15 o
-5 10 -3 1186.53 1210.94 78.79 o
-4 10 -3 1079.97 1130.26 75.76 o
-3 10 -3 903.75 848.28 62.77 o
-2 10 -3 16479.62 17159.87 175.66 o
-1 10 -3 1822.29 1902.41 116.44 o
0 10 -3 10563.83 11124.42 356.13 o
-9 11 -3 7960.39 8274.64 308.69 o
-8 11 -3 970.26 1024.60 85.77 o
-7 11 -3 201.30 197.68 71.50 o
-6 11 -3 4733.64 4849.79 107.70 o
-5 11 -3 6858.04 7142.18 115.08 o
-4 11 -3 5464.47 5484.09 110.84 o
-3 11 -3 1028.66 997.49 93.29 o
-2 11 -3 3034.61 3175.56 142.98 o
0 1 -2 12403.21 12587.38 49.00 o
-1 2 -2 6128.00 6063.84 110.80 o
0 2 -2 20775.58 20568.45 131.41 o
-2 3 -2 43943.95 43265.77 348.77 o
-1 3 -2 3930.26 3981.81 24.07 o
0 3 -2 1411.69 1470.96 31.31 o
-3 4 -2 26098.38 25233.23 237.78 o
-2 4 -2 30585.51 30752.82 364.00 o
-1 4 -2 14447.59 14442.00 137.54 o
0 4 -2 4341.13 4384.94 52.42 o
-4 5 -2 582.46 640.42 24.32 o
-3 5 -2 3956.68 3840.15 37.08 o
-2 5 -2 3645.93 3631.24 40.59 o
-1 5 -2 1038.78 1053.10 23.89 o
0 5 -2 2051.28 2026.61 33.46 o
-5 6 -2 9052.87 9031.93 90.48 o
-4 6 -2 4849.15 4821.81 43.06 o
-3 6 -2 7087.93 7007.55 85.21 o
-2 6 -2 6471.62 6504.37 60.44 o
-1 6 -2 41925.75 41558.41 203.60 o
0 6 -2 407.80 421.79 26.21 o
-6 7 -2 4205.42 4266.11 68.35 o
-5 7 -2 30079.52 30323.00 301.16 o
-4 7 -2 12377.74 12505.33 87.97 o
-3 7 -2 6174.68 6043.08 65.34 o
-2 7 -2 1079.47 1075.75 36.80 o
-1 7 -2 1238.93 1194.98 36.51 o
0 7 -2 3093.53 3036.90 46.38 o
-7 8 -2 902.09 961.01 41.15 o
-6 8 -2 1240.29 1288.36 39.18 o
-5 8 -2 6184.71 6257.38 70.27 o
-4 8 -2 1059.03 1015.01 41.79 o
-3 8 -2 3566.21 3526.59 55.79 o
-2 8 -2 1482.57 1440.43 41.09 o
-1 8 -2 426.80 439.60 37.86 o
0 8 -2 17032.80 17622.99 380.84 o
-8 9 -2 6098.72 6312.49 171.14 o
-7 9 -2 2638.77 2719.57 74.94 o
-6 9 -2 388.93 455.55 47.37 o
-5 9 -2 2967.45 3390.69 217.53 o
-4 9 -2 734.70 760.84 62.47 o
-3 9 -2 20827.41 21378.99 311.81 o
-2 9 -2 1493.28 1562.25 47.21 o
-1 9 -2 2472.02 2497.15 51.21 o
0 9 -2 6791.83 6895.59 164.29 o
-9 10 -2 1486.11 1625.94 85.69 o
-8 10 -2 4799.63 5142.51 188.66 o
-7 10 -2 9810.52 10951.46 461.60 o
-6 10 -2 2303.97 2419.97 87.36 o
-5 10 -2 432.13 447.48 68.91 o
-4 10 -2 13163.13 13307.18 278.01 o
-3 10 -2 5490.17 5624.98 100.96 o
-2 10 -2 3079.49 3134.64 69.57 o
-1 10 -2 2087.37 2070.03 78.81 o
0 10 -2 5071.75 5181.05 256.84 o
-10 11 -2 1905.18 1783.84 269.62 o
-9 11 -2 2049.19 2098.47 121.73 o
-8 11 -2 3553.51 3791.88 283.18 o
-7 11 -2 26963.80 29176.43 1073.59 o
-6 11 -2 918.92 911.62 88.18 o
-5 11 -2 3337.63 3400.42 93.44 o
-4 11 -2 2657.46 2884.23 106.02 o
-3 11 -2 1690.76 1660.12 72.27 o
-2 11 -2 607.40 564.39 58.88 o
-1 11 -2 628.06 749.68 84.60 o
-9 12 -2 1814.66 1944.55 117.74 o
-8 12 -2 777.23 856.54 101.76 o
-7 12 -2 615.42 823.89 115.77 o
-6 12 -2 657.46 705.61 95.83 o
-5 12 -2 1188.11 1316.75 97.47 o
-4 12 -2 906.73 844.49 77.46 o
-3 12 -2 2638.63 2764.22 120.42 o
0 1 -1 3015.92 3179.64 27.25 o
-1 2 -1 11294.59 11203.24 84.53 o
-2 3 -1 3550.62 3686.84 47.69 o
0 3 -1 14067.93 14111.00 101.62 o
-3 4 -1 1831.40 1805.79 22.22 o
-2 4 -1 1218.33 1212.74 19.14 o
-1 4 -1 32630.19 32612.31 352.25 o
0 4 -1 7567.74 7730.47 98.44 o
-4 5 -1 33429.23 32929.05 251.86 o
-3 5 -1 11793.90 11796.02 185.04 o
-2 5 -1 6283.98 6424.22 97.97 o
-1 5 -1 602.80 630.02 14.75 o
0 5 -1 19328.25 19367.26 274.73 o
-5 6 -1 498.39 517.37 18.61 o
-4 6 -1 2297.23 2310.14 30.59 o
-3 6 -1 23100.40 23377.49 232.00 o
-2 6 -1 11677.68 11815.78 95.86 o
-1 6 -1 651.78 664.15 20.32 o
0 6 -1 8329.42 8342.83 80.63 o
-6 7 -1 21735.67 21982.88 275.05 o
-5 7 -1 1340.27 1342.20 32.09 o
-4 7 -1 20.12 32.70 16.76 o
-3 7 -1 26430.02 26821.15 292.81 o
-2 7 -1 1533.96 1510.59 46.48 o
-1 7 -1 8173.38 8212.96 106.54 o
0 7 -1 15723.38 15537.43 126.09 o
-7 8 -1 172.55 189.24 31.99 o
-6 8 -1 438.91 436.11 39.90 o
-5 8 -1 155.01 213.66 39.91 o
-4 8 -1 7127.91 7221.51 91.69 o
-3 8 -1 12807.11 12683.08 220.08 o
-2 8 -1 7283.37 7372.09 110.55 o
-1 8 -1 13102.59 13449.36 175.43 o
0 8 -1 1164.52 1167.30 43.72 o
-8 9 -1 810.09 842.45 70.40 o
-7 9 -1 23938.48 23775.81 287.29 o
-6 9 -1 983.06 1009.61 55.72 o
-5 9 -1 24638.14 25452.41 767.10 o
-4 9 -1 19.32 68.46 57.67 o
-3 9 -1 217.44 246.23 60.23 o
-2 9 -1 1087.77 1055.94 45.89 o
-1 9 -1 4246.25 4160.62 66.21 o
0 9 -1 1348.65 1290.47 59.52 o
-9 10 -1 666.67 748.82 76.01 o
-8 10 -1 3677.99 3611.07 85.55 o
-7 10 -1 321.05 263.19 44.10 o
-6 10 -1 960.18 959.17 66.27 o
-5 10 -1 1790.64 1822.58 79.08 o
-4 10 -1 1416.54 1470.82 63.44 o
-3 10 -1 810.17 764.13 48.37 o
-2 10 -1 20893.81 20658.30 344.04 o
-1 10 -1 222.47 243.58 46.58 o
0 10 -1 9912.72 9736.53 109.41 o
-10 11 -1 44.58 84.17 60.03 o
-9 11 -1 11684.34 12068.03 154.05 o
-8 11 -1 167.45 165.34 51.18 o
-7 11 -1 273.52 322.86 59.39 o
-6 11 -1 3387.06 3529.43 141.47 o
-5 11 -1 10802.92 11660.85 622.36 o
-4 11 -1 6804.13 6690.71 157.08 o
-3 11 -1 2512.35 2479.66 84.06 o
-2 11 -1 4988.71 5089.74 101.78 o
-1 11 -1 2946.78 2938.58 87.17 o
0 11 -1 1872.47 1817.36 83.18 o
-10 12 -1 199.38 182.61 64.71 o
-9 12 -1 3879.46 3812.24 106.77 o
-8 12 -1 14.83 84.11 56.10 o
-7 12 -1 1039.48 1074.02 86.59 o
-6 12 -1 3719.30 3952.16 271.82 o
-5 12 -1 1299.76 1312.71 87.17 o
-4 12 -1 6104.01 6260.99 114.29 o
-3 12 -1 55.07 114.28 48.91 o
-2 12 -1 234.50 210.33 75.23 o
0 2 0 6263.48 6291.32 44.56 o
-2 3 0 29799.66 29880.47 141.20 o
-1 3 0 1190.08 1242.98 24.84 o
0 3 0 6017.06 5966.93 56.08 o
-3 4 0 75250.41 72309.80 1145.68 o
-2 4 0 82856.63 82787.94 1771.09 o
-1 4 0 11186.74 11074.65 128.61 o
0 4 0 5946.36 5911.50 73.60 o
-4 5 0 971.90 1023.14 32.27 o
-3 5 0 686.15 710.00 20.77 o
-2 5 0 5863.57 5860.77 36.88 o
-1 5 0 27670.58 28068.21 336.11 o
0 5 0 29.50 32.12 8.94 o
-5 6 0 13.27 74.87 17.40 o
-4 6 0 591.95 608.15 19.83 o
-3 6 0 3831.66 3905.58 50.39 o
-2 6 0 681.76 755.56 25.89 o
-1 6 0 42689.58 42651.85 516.13 o
0 6 0 2938.99 2950.08 44.96 o
-6 7 0 8661.72 8348.47 188.89 o
-5 7 0 48361.17 47304.85 845.83 o
-4 7 0 14278.53 15000.51 546.28 o
-3 7 0 7356.95 7636.87 133.70 o
-2 7 0 17767.11 17869.10 228.88 o
-1 7 0 1642.87 1664.99 33.95 o
0 7 0 1580.01 1569.65 28.28 o
-7 8 0 3817.80 3764.73 71.57 o
-6 8 0 1.58 14.28 12.70 o
-5 8 0 13047.21 12961.57 306.93 o
-4 8 0 173.49 229.62 30.82 o
-3 8 0 3229.18 3278.20 90.41 o
-2 8 0 1571.60 1558.71 42.17 o
-1 8 0 1959.93 1946.43 62.09 o
0 8 0 25345.56 25048.77 643.64 o
-8 9 0 2051.91 1988.95 49.56 o
-7 9 0 5117.21 5059.32 123.93 o
-6 9 0 2158.44 2129.51 55.22 o
-5 9 0 6902.46 6845.87 199.85 o
-4 9 0 2661.13 2647.15 64.79 o
-3 9 0 35288.92 35422.33 469.75 o
-2 9 0 1299.46 1229.67 74.09 o
-1 9 0 505.81 433.45 45.21 o
0 9 0 21905.51 21263.68 589.13 o
-9 10 0 2854.28 2916.35 102.87 o
-8 10 0 1994.18 1972.41 58.53 o
-7 10 0 7199.83 7393.71 104.83 o
-6 10 0 4892.62 5058.99 159.82 o
-5 10 0 218.34 200.06 34.22 o
-4 10 0 9534.94 9481.90 395.40 o
-3 10 0 2660.69 2576.80 108.35 o
-2 10 0 225.94 220.34 47.41 o
-1 10 0 2519.68 2373.47 76.15 o
0 10 0 1144.90 1121.63 63.52 o
-10 11 0 6049.24 6056.15 141.78 o
-9 11 0 3689.01 3625.66 112.40 o
-8 11 0 1498.43 1472.84 73.95 o
-7 11 0 42851.30 44212.66 262.95 o
-6 11 0 30.05 39.11 28.25 o
-5 11 0 4082.97 4270.99 222.29 o
-4 11 0 2889.08 2863.01 70.65 o
-3 11 0 3203.11 3146.62 168.35 o
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