#------------------------------------------------------------------------------
#$Date: 2016-04-02 23:01:28 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180903 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/43/2104307.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_2104307_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                   10.0809
_cell_length_b                   10.0809
_cell_length_c                   5.7604
_exptl_crystal_F_000             754.00
_reflns_d_resolution_high        0.8313
_cod_data_source_file            bp5017smsup6.hkl
_cod_data_source_block           sm
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  Sm3AgGeS7 in P6(3)'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            321.05
_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 -6 2037.71 1913.34 88.56 o
-1 2 -6 7576.77 7747.23 301.56 o
0 2 -6 6022.62 5858.57 153.50 o
-2 3 -6 13732.62 14137.98 624.39 o
-1 3 -6 270.86 294.12 39.25 o
0 3 -6 1358.96 1277.87 77.89 o
-3 4 -6 7729.35 7518.55 353.35 o
-2 4 -6 4027.40 3939.10 94.26 o
-1 4 -6 3793.71 3620.62 128.44 o
0 4 -6 1257.17 1220.66 80.41 o
-4 5 -6 4225.09 3986.27 216.58 o
-3 5 -6 754.18 768.46 52.75 o
-2 5 -6 756.99 774.49 52.82 o
-1 5 -6 1890.05 1971.94 101.88 o
0 5 -6 565.40 745.01 88.63 o
-3 6 -6 8810.67 9091.55 353.44 o
0 1 -5 7848.95 8077.22 293.28 o
-1 2 -5 4552.31 4713.70 84.65 o
0 2 -5 7041.64 7170.81 150.62 o
-2 3 -5 2329.73 2382.64 129.69 o
-1 3 -5 2533.44 2644.39 94.09 o
0 3 -5 4849.14 4780.43 116.60 o
-3 4 -5 915.32 874.90 42.61 o
-2 4 -5 346.49 436.94 44.96 o
-1 4 -5 28257.69 28486.34 321.59 o
0 4 -5 236.75 247.57 32.84 o
-4 5 -5 17126.04 17397.29 378.62 o
-3 5 -5 351.63 326.76 60.88 o
-2 5 -5 11136.92 11414.71 207.53 o
-1 5 -5 736.10 728.03 39.10 o
0 5 -5 1186.37 1145.22 41.40 o
-5 6 -5 4744.74 4644.39 80.42 o
-4 6 -5 71.57 115.64 36.45 o
-3 6 -5 11824.89 12338.91 324.16 o
-2 6 -5 1581.12 1518.11 64.43 o
-1 6 -5 3063.77 2849.99 62.94 o
0 6 -5 2899.49 2833.93 117.69 o
-6 7 -5 24633.70 25010.17 686.18 o
-5 7 -5 797.74 826.51 46.46 o
-4 7 -5 1702.20 1818.03 66.04 o
-3 7 -5 3904.08 3793.47 131.95 o
-2 7 -5 2056.57 1951.02 71.89 o
-1 7 -5 687.74 596.03 39.39 o
0 7 -5 1045.54 1027.11 50.15 o
-6 8 -5 3061.62 2997.53 123.32 o
-5 8 -5 1148.95 1100.81 50.25 o
-4 8 -5 2708.05 3154.01 336.91 o
-3 8 -5 18345.02 18121.58 463.40 o
-2 8 -5 9069.32 8836.40 197.02 o
0 0 -4 88748.26 79490.13 432.57 o
0 1 -4 963.48 982.69 42.00 o
-1 2 -4 9441.80 9054.08 151.24 o
0 2 -4 4877.89 4860.50 109.96 o
-2 3 -4 14388.20 12633.76 880.98 o
-1 3 -4 658.16 711.15 64.69 o
0 3 -4 3539.88 3526.65 75.68 o
-3 4 -4 31344.00 32386.81 2478.57 o
-2 4 -4 14658.57 13638.48 518.88 o
-1 4 -4 7311.11 7260.67 89.73 o
0 4 -4 5129.67 5073.01 71.20 o
-4 5 -4 7123.85 7289.34 187.73 o
-3 5 -4 986.33 941.41 39.67 o
-2 5 -4 5266.85 5124.75 194.07 o
-1 5 -4 1012.64 967.36 36.91 o
0 5 -4 17.48 46.32 30.31 o
-5 6 -4 721.17 728.30 35.38 o
-4 6 -4 345.34 391.83 26.66 o
-3 6 -4 2183.01 2073.39 74.53 o
-2 6 -4 59.87 91.77 18.67 o
-1 6 -4 28359.30 27711.83 534.20 o
0 6 -4 1020.63 1113.62 103.96 o
-6 7 -4 7761.16 8010.45 156.74 o
-5 7 -4 7397.19 7408.50 180.13 o
-4 7 -4 10818.79 10540.80 516.55 o
-3 7 -4 5006.37 4975.64 222.84 o
-2 7 -4 130.06 96.64 24.51 o
-1 7 -4 1528.33 1566.67 65.99 o
0 7 -4 1988.43 1885.15 49.62 o
-7 8 -4 229.26 195.52 37.64 o
-6 8 -4 488.73 542.27 43.64 o
-5 8 -4 10798.20 10923.66 229.38 o
-4 8 -4 3478.74 3427.73 91.11 o
-3 8 -4 3503.84 3468.44 112.46 o
-2 8 -4 2234.43 2120.61 63.13 o
-1 8 -4 2698.22 2542.87 59.17 o
0 8 -4 14092.48 13863.93 319.98 o
-8 9 -4 3152.34 3188.19 287.10 o
-7 9 -4 4674.24 4535.15 129.19 o
-6 9 -4 1672.93 1653.39 51.11 o
-5 9 -4 5312.74 5171.88 115.19 o
-4 9 -4 383.27 364.85 49.88 o
-3 9 -4 8268.76 7985.19 260.48 o
-2 9 -4 1001.89 933.35 43.16 o
-1 9 -4 283.34 269.45 35.72 o
0 1 -3 4821.54 4680.86 57.22 o
-1 2 -3 7697.81 7078.94 203.51 o
0 2 -3 31141.41 28345.58 1121.80 o
-2 3 -3 7173.06 6652.92 268.33 o
-1 3 -3 2686.34 2578.34 75.87 o
0 3 -3 9062.58 8681.40 220.06 o
-3 4 -3 2646.92 2528.52 104.11 o
-2 4 -3 492.54 515.16 49.96 o
-1 4 -3 32535.36 31290.55 723.67 o
0 4 -3 9658.52 9576.51 194.23 o
-4 5 -3 28873.26 28936.46 1191.76 o
-3 5 -3 5259.09 4817.79 158.74 o
-2 5 -3 8891.89 8384.01 306.01 o
-1 5 -3 985.34 904.69 36.60 o
0 5 -3 12494.05 12439.59 306.92 o
-5 6 -3 2998.04 3044.52 45.23 o
-4 6 -3 5050.44 5075.01 183.70 o
-3 6 -3 20615.31 19708.62 565.63 o
-2 6 -3 4920.03 4713.63 193.69 o
-1 6 -3 1601.42 1529.64 35.74 o
0 6 -3 5958.54 5834.67 80.89 o
-6 7 -3 28059.93 28339.21 323.94 o
-5 7 -3 1041.29 1018.13 32.13 o
-4 7 -3 2086.19 1949.53 54.66 o
-3 7 -3 15082.01 14490.61 377.37 o
-2 7 -3 2878.76 2789.61 67.28 o
-1 7 -3 7334.01 7079.96 178.02 o
0 7 -3 8736.19 8347.02 146.37 o
-7 8 -3 621.07 619.16 27.88 o
-6 8 -3 1246.13 1252.61 35.62 o
-5 8 -3 1404.83 1429.93 39.31 o
-4 8 -3 4086.88 4145.27 162.54 o
-3 8 -3 19629.75 19468.37 520.10 o
-2 8 -3 8494.47 8510.99 174.43 o
-1 8 -3 15980.67 15840.11 470.33 o
0 8 -3 637.81 631.49 36.29 o
-8 9 -3 410.41 349.09 30.68 o
-7 9 -3 16198.99 16262.44 243.43 o
-6 9 -3 3173.23 3136.76 54.90 o
-5 9 -3 22776.27 23874.91 378.58 o
-4 9 -3 1649.87 1791.97 51.79 o
-3 9 -3 100.00 129.90 26.84 o
-2 9 -3 1392.93 1319.59 42.99 o
-1 9 -3 5099.28 5087.58 131.79 o
0 9 -3 695.99 662.26 40.09 o
-8 10 -3 3940.18 3836.75 64.99 o
-7 10 -3 979.45 978.04 46.97 o
-6 10 -3 2472.03 2553.93 64.10 o
-5 10 -3 2086.56 2108.69 47.95 o
-4 10 -3 464.21 529.44 44.87 o
-3 10 -3 579.27 507.14 46.97 o
-2 10 -3 16891.61 17788.88 219.24 o
0 1 -2 7100.32 6941.31 143.33 o
-1 2 -2 13469.00 12867.47 302.68 o
0 2 -2 36544.09 33795.30 1579.73 o
-2 3 -2 37835.53 33483.48 317.33 o
-1 3 -2 5628.14 5632.10 245.32 o
0 3 -2 1237.08 1279.37 57.97 o
-3 4 -2 21466.68 20628.89 667.77 o
-2 4 -2 30637.11 28343.11 520.31 o
-1 4 -2 22067.69 21454.73 774.37 o
0 4 -2 10100.38 9958.85 240.26 o
-4 5 -2 4054.83 4076.16 70.22 o
-3 5 -2 2606.44 2523.72 56.94 o
-2 5 -2 6289.78 5904.09 134.91 o
-1 5 -2 1366.29 1293.92 24.89 o
0 5 -2 1273.72 1416.35 134.68 o
-5 6 -2 17717.70 17568.48 545.45 o
-4 6 -2 2200.43 2145.49 49.88 o
-3 6 -2 12509.98 11969.60 366.02 o
-2 6 -2 2161.17 2078.74 45.14 o
-1 6 -2 42046.36 41644.68 841.57 o
0 6 -2 738.04 706.90 22.53 o
-6 7 -2 9172.77 8819.30 188.89 o
-5 7 -2 22261.67 22616.39 491.75 o
-4 7 -2 14908.48 14707.47 410.71 o
-3 7 -2 10531.34 10262.85 244.40 o
-2 7 -2 564.14 539.73 17.88 o
-1 7 -2 1242.89 1323.12 59.97 o
0 7 -2 4958.59 4798.68 102.25 o
-7 8 -2 2101.29 2057.15 39.17 o
-6 8 -2 2360.45 2436.16 132.00 o
-5 8 -2 5388.62 5539.72 125.24 o
-4 8 -2 1601.82 1713.46 74.23 o
-3 8 -2 8717.77 8656.31 196.63 o
-2 8 -2 2173.62 2074.38 49.20 o
-1 8 -2 516.92 509.03 21.06 o
0 8 -2 15282.82 15505.57 360.54 o
-8 9 -2 8197.74 8243.49 212.81 o
-7 9 -2 4878.12 4687.39 74.75 o
-6 9 -2 2083.93 2061.28 50.33 o
-5 9 -2 4633.43 4582.72 116.04 o
-4 9 -2 2541.80 2646.48 94.79 o
-3 9 -2 18317.97 18375.46 353.17 o
-2 9 -2 1837.42 1888.21 51.38 o
-1 9 -2 844.04 821.47 31.83 o
0 9 -2 5654.35 5705.79 176.53 o
-9 10 -2 1872.15 1878.67 58.63 o
-8 10 -2 8323.59 8257.34 156.09 o
-7 10 -2 3473.81 3431.60 59.17 o
-6 10 -2 2386.67 2389.97 58.98 o
-5 10 -2 2344.73 2420.81 60.68 o
-4 10 -2 9146.34 9238.24 108.59 o
-3 10 -2 6747.78 6754.74 279.23 o
-2 10 -2 5377.96 5645.14 164.43 o
-1 10 -2 3430.75 3500.18 228.13 o
0 10 -2 8196.26 8344.19 280.04 o
-8 11 -2 847.48 822.44 39.65 o
-7 11 -2 29613.57 30192.09 667.50 o
-6 11 -2 649.76 630.01 41.01 o
-5 11 -2 5507.88 5673.79 106.95 o
-4 11 -2 4499.24 4537.79 176.71 o
-3 11 -2 3135.70 3114.56 71.79 o
-1 2 -1 12579.72 11351.97 257.65 o
0 2 -1 51363.49 52419.48 2591.98 o
-2 3 -1 3564.94 3596.95 34.20 o
-1 3 -1 1486.90 1586.03 39.18 o
0 3 -1 15581.51 15915.61 317.05 o
-3 4 -1 1701.07 1705.78 37.30 o
-2 4 -1 953.94 967.21 19.91 o
-1 4 -1 39375.91 40005.94 1048.99 o
0 4 -1 12569.27 12487.57 237.85 o
-4 5 -1 43011.48 44513.01 734.65 o
-3 5 -1 9745.40 9351.13 136.04 o
-2 5 -1 10008.73 9792.67 168.82 o
-1 5 -1 1087.65 1137.92 29.35 o
0 5 -1 19401.25 19149.92 424.94 o
-5 6 -1 1011.12 1068.90 50.41 o
-4 6 -1 4427.79 4544.25 61.77 o
-3 6 -1 28965.03 28539.51 210.53 o
-2 6 -1 13140.35 13016.70 228.61 o
-1 6 -1 490.16 590.36 42.12 o
0 6 -1 7524.89 7520.77 178.84 o
-6 7 -1 28870.81 29517.63 489.54 o
-5 7 -1 1673.10 1707.63 43.76 o
-4 7 -1 66.12 111.18 12.11 o
-3 7 -1 26579.66 26219.26 205.73 o
-2 7 -1 4176.41 4149.57 66.73 o
-1 7 -1 11135.12 11393.56 342.62 o
0 7 -1 12789.48 13043.15 323.86 o
-7 8 -1 844.30 843.46 30.26 o
-6 8 -1 319.76 295.30 14.92 o
-5 8 -1 186.83 201.76 16.07 o
-4 8 -1 5931.29 5811.50 61.21 o
-3 8 -1 19387.58 19164.10 153.73 o
-2 8 -1 5577.45 5749.82 169.66 o
-1 8 -1 19975.47 21479.72 696.33 o
0 8 -1 1392.74 1476.11 35.32 o
-8 9 -1 1002.00 964.22 40.62 o
-7 9 -1 26212.40 26470.25 354.13 o
-6 9 -1 3684.41 3606.12 78.52 o
-5 9 -1 28431.27 28678.28 221.97 o
-4 9 -1 415.58 457.09 45.98 o
-3 9 -1 151.24 170.40 17.99 o
-2 9 -1 1633.82 1650.27 52.71 o
-1 9 -1 6007.38 6177.23 220.15 o
0 9 -1 879.64 918.50 34.56 o
-9 10 -1 160.58 176.74 26.69 o
-8 10 -1 4823.21 4957.36 100.92 o
-7 10 -1 510.44 492.37 29.76 o
-6 10 -1 908.17 838.97 34.80 o
-5 10 -1 2737.25 2736.57 74.60 o
-4 10 -1 1071.23 1005.05 31.63 o
-3 10 -1 288.88 300.24 24.12 o
-2 10 -1 21448.20 22751.46 574.58 o
-1 10 -1 1665.51 1769.91 75.12 o
0 10 -1 12362.76 12638.77 238.27 o
-9 11 -1 14360.80 15282.62 448.49 o
-8 11 -1 939.79 971.63 49.70 o
-7 11 -1 452.71 507.73 34.84 o
-6 11 -1 2594.56 2596.47 47.92 o
-5 11 -1 16939.87 17148.51 291.02 o
-4 11 -1 4869.37 4794.30 123.87 o
-3 11 -1 5858.22 5890.53 262.08 o
-2 11 -1 5252.33 5471.24 155.26 o
-6 12 -1 3461.82 3441.96 112.84 o
0 2 0 10115.95 9896.70 145.49 o
-2 3 0 33800.56 34471.54 448.54 o
-1 3 0 1331.69 1468.81 31.64 o
0 3 0 2974.17 2671.26 33.43 o
-3 4 0 73446.09 75844.94 1366.93 o
-2 4 0 103072.78 112217.11 1451.93 o
-1 4 0 14529.27 14236.35 307.52 o
0 4 0 9452.93 9467.25 187.62 o
-4 5 0 47.70 121.41 14.81 o
-3 5 0 522.95 619.84 40.38 o
-2 5 0 8639.40 8826.64 118.72 o
-1 5 0 24914.81 24369.82 487.63 o
-5 6 0 557.98 592.40 12.13 o
-4 6 0 103.22 148.15 12.35 o
-3 6 0 2562.97 2609.51 50.24 o
-2 6 0 53.59 96.98 10.24 o
-1 6 0 54616.98 55582.01 1021.43 o
0 6 0 4469.58 4395.63 93.85 o
-6 7 0 13047.32 13253.17 191.23 o
-5 7 0 45371.60 46496.50 410.03 o
-4 7 0 20730.61 21320.06 227.12 o
-3 7 0 8458.14 8372.48 195.97 o
-2 7 0 11812.02 11688.57 298.86 o
-1 7 0 2351.31 2386.37 43.79 o
0 7 0 2624.67 2686.41 58.41 o
-7 8 0 5414.58 5533.51 103.11 o
-6 8 0 598.18 620.90 15.27 o
-5 8 0 19049.10 19135.55 134.62 o
-4 8 0 305.18 322.55 13.97 o
-3 8 0 5558.76 5595.15 109.81 o
-2 8 0 2705.97 2721.98 70.31 o
-1 8 0 515.14 530.18 20.56 o
0 8 0 24392.96 25347.28 465.31 o
-8 9 0 5433.25 5472.98 110.54 o
-7 9 0 7084.34 7319.46 119.50 o
-6 9 0 943.64 974.25 27.44 o
-5 9 0 7823.17 7868.86 92.45 o
-4 9 0 503.78 557.20 28.94 o
-3 9 0 39186.59 39446.04 355.17 o
-2 9 0 1390.02 1305.76 32.50 o
-1 9 0 26.85 33.57 10.77 o
0 9 0 23900.74 24809.42 446.64 o
-9 10 0 1987.98 2125.77 42.65 o
-8 10 0 483.27 518.77 28.82 o
-7 10 0 4159.22 4274.80 61.77 o
-6 10 0 5425.96 5315.68 108.38 o
-5 10 0 59.43 61.08 13.04 o
-4 10 0 8103.10 7611.48 86.87 o
-3 10 0 5562.56 5344.01 70.54 o
-2 10 0 420.76 434.86 26.21 o
-1 10 0 4514.22 4489.41 63.78 o
0 10 0 2014.97 1947.96 67.77 o
-9 11 0 4329.87 4452.29 126.73 o
-8 11 0 249.43 292.58 28.32 o
-7 11 0 48741.51 52916.14 1110.72 o
-6 11 0 897.50 806.07 30.55 o
-5 11 0 6986.02 6790.45 74.81 o
-4 11 0 2961.25 2832.24 51.05 o
-3 11 0 4715.93 4686.46 72.65 o
-2 11 0 2227.19 2318.79 62.10 o
-7 12 0 594.47 577.03 32.95 o
-6 12 0 1.90 20.62 16.36 o
-5 12 0 4.35 17.24 13.11 o
0 1 1 4045.15 4308.78 47.09 o
-1 2 1 13093.86 13305.14 266.96 o
0 2 1 50987.71 51642.41 929.64 o
-2 3 1 3066.57 3199.29 50.88 o
-1 3 1 1429.53 1626.33 21.83 o
0 3 1 16316.48 16714.05 190.06 o
-3 4 1 1546.99 1521.45 30.78 o
-2 4 1 901.83 941.90 13.66 o
-1 4 1 39477.27 41007.90 625.05 o
0 4 1 11696.82 11500.77 127.60 o
-4 5 1 43753.97 43495.57 658.88 o
-3 5 1 9596.84 9551.61 115.09 o
-2 5 1 9630.49 9807.17 110.99 o
-1 5 1 1164.54 1219.79 23.27 o
0 5 1 18222.73 17636.29 193.69 o
-5 6 1 1142.60 1193.61 36.07 o
-4 6 1 3876.47 3959.93 60.66 o
-3 6 1 28872.34 29841.83 383.98 o
-2 6 1 13653.77 14078.36 159.43 o
-1 6 1 718.49 717.33 18.26 o
0 6 1 7033.31 6798.99 125.34 o
-6 7 1 30250.62 30217.15 459.17 o
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-4 7 1 48.87 70.97 8.25 o
-3 7 1 26489.44 27525.26 335.23 o
-2 7 1 4379.51 4257.24 59.35 o
-1 7 1 10666.65 10682.46 154.51 o
0 7 1 12025.95 11913.83 144.29 o
-7 8 1 816.70 807.84 17.70 o
-6 8 1 352.29 435.23 34.27 o
-5 8 1 125.05 137.16 13.09 o
-4 8 1 5553.58 5608.65 85.16 o
-3 8 1 20203.15 20424.76 337.73 o
-2 8 1 6467.21 6322.67 106.32 o
-1 8 1 18649.00 19109.04 252.00 o
0 8 1 1367.42 1329.05 23.55 o
-8 9 1 1261.01 1253.75 25.00 o
-7 9 1 27027.14 27690.50 183.91 o
-6 9 1 3406.14 3376.79 35.91 o
-5 9 1 26146.62 26837.97 295.56 o
-4 9 1 505.18 477.97 16.40 o
-3 9 1 152.75 195.66 26.74 o
-2 9 1 1503.63 1547.39 41.41 o
-1 9 1 5359.85 5377.48 88.91 o
0 9 1 897.17 844.59 27.15 o
-9 10 1 99.09 116.67 17.69 o
-8 10 1 4859.17 4911.11 57.58 o
-7 10 1 519.76 528.55 22.45 o
-6 10 1 1080.51 1040.60 24.21 o
-5 10 1 2916.25 2856.11 36.07 o
-4 10 1 954.47 880.05 22.73 o
-3 10 1 349.06 389.87 23.02 o
-2 10 1 21268.55 22057.79 390.98 o
-1 10 1 1936.41 2023.86 39.11 o
0 10 1 12725.62 12788.00 107.79 o
-9 11 1 13748.33 13761.06 116.74 o
-8 11 1 1077.36 1144.05 25.74 o
-7 11 1 453.65 457.32 22.47 o
-6 11 1 2774.69 2684.86 42.24 o
-5 11 1 17238.05 16698.61 230.16 o
-4 11 1 4822.86 4584.45 77.90 o
-3 11 1 5998.27 5841.21 124.95 o
-2 11 1 4993.86 5083.17 97.48 o
-6 12 1 3603.12 3425.94 50.92 o
0 1 2 7459.38 7852.74 86.75 o
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