#------------------------------------------------------------------------------
#$Date: 2009-05-13 10:52:48 +0300 (Wed, 13 May 2009) $
#$Revision: 717 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2104311.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_2104311_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                   9.7401
_cell_length_b                   9.7401
_cell_length_c                   5.7994
_exptl_crystal_F_000             784.00
_reflns_d_resolution_high        0.7904
_[local]_cod_data_source_file    bp5017hosup10.hkl
_[local]_cod_data_source_block   ho
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Ho3AgGeS7 in P6(3)'
_shelx_refln_list_code           4
_shelx_F_calc_maximum            354.79
_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 2410.05 2397.20 82.23 o
-1 2 -7 787.60 605.93 65.71 o
0 2 -7 3891.17 3364.26 101.77 o
-2 3 -7 99.45 135.85 53.22 o
-1 3 -7 808.29 753.63 75.90 o
0 3 -7 888.21 825.01 78.39 o
0 0 -6 4629.38 4872.16 212.92 o
0 1 -6 1336.42 1528.38 51.97 o
-1 2 -6 4495.83 4035.85 62.48 o
0 2 -6 3629.25 3255.15 69.29 o
-2 3 -6 9706.35 10016.53 131.88 o
-1 3 -6 98.61 182.82 40.17 o
0 3 -6 1227.89 1144.99 61.47 o
-3 4 -6 3153.15 3295.79 76.51 o
-2 4 -6 3049.48 3233.28 75.56 o
0 4 -6 837.73 567.15 62.48 o
-4 5 -6 3847.59 3309.45 98.63 o
-3 5 -6 818.72 764.61 65.80 o
-1 5 -6 1369.62 1375.80 79.59 o
0 5 -6 2068.42 2255.66 93.73 o
-5 6 -6 2628.88 2364.01 102.89 o
-4 6 -6 472.42 366.25 60.36 o
-3 6 -6 6301.18 5895.44 111.98 o
-2 6 -6 207.03 241.77 57.82 o
-1 6 -6 11792.78 12251.35 240.24 o
0 6 -6 474.31 502.05 71.34 o
-4 7 -6 7502.57 7960.13 176.75 o
-3 7 -6 391.72 256.54 61.99 o
0 1 -5 7335.37 7132.73 85.37 o
-1 2 -5 2895.59 2786.31 39.74 o
0 2 -5 8917.46 8729.85 83.44 o
-2 3 -5 2651.87 2662.40 47.90 o
-1 3 -5 3936.94 3931.29 68.50 o
0 3 -5 2822.73 2729.21 51.61 o
-3 4 -5 972.65 930.07 46.79 o
-2 4 -5 195.98 201.36 34.54 o
-1 4 -5 18018.85 18333.84 224.89 o
0 4 -5 1164.25 1168.31 50.35 o
-4 5 -5 12706.32 12714.00 131.26 o
-3 5 -5 561.21 531.90 45.63 o
-2 5 -5 10924.42 10884.26 143.97 o
-1 5 -5 775.59 781.22 60.33 o
0 5 -5 453.67 390.60 59.97 o
-5 6 -5 3330.04 3296.22 76.17 o
-4 6 -5 365.88 322.24 48.08 o
-3 6 -5 7911.18 7781.80 95.09 o
-2 6 -5 1691.03 1878.74 76.78 o
-1 6 -5 1969.46 1991.07 78.22 o
0 6 -5 1132.95 1005.21 80.62 o
-6 7 -5 18074.07 18428.24 305.81 o
-5 7 -5 671.92 664.20 64.22 o
-4 7 -5 799.99 753.46 70.22 o
-3 7 -5 857.87 762.01 70.31 o
-2 7 -5 3787.76 3775.93 102.31 o
-1 7 -5 453.56 352.42 67.42 o
0 7 -5 65.87 101.41 52.23 o
-7 8 -5 716.00 794.40 98.78 o
-6 8 -5 1502.72 1303.78 100.00 o
-5 8 -5 525.63 443.12 69.06 o
-4 8 -5 1178.42 1053.83 91.07 o
-3 8 -5 12572.44 13062.37 215.82 o
-2 8 -5 2463.37 2363.75 100.83 o
-1 8 -5 7378.41 7433.14 149.70 o
-5 9 -5 2054.08 1900.81 119.57 o
-4 9 -5 5104.12 5114.04 134.05 o
0 0 -4 76103.43 75661.34 2094.32 o
0 1 -4 782.36 898.97 24.51 o
-1 2 -4 7215.94 6921.95 61.79 o
0 2 -4 3718.75 3707.42 52.33 o
-2 3 -4 13185.70 12981.75 100.89 o
-1 3 -4 9.93 43.64 16.42 o
0 3 -4 4694.72 4602.58 63.09 o
-3 4 -4 19804.91 20281.56 189.18 o
-2 4 -4 19911.82 19840.87 232.47 o
-1 4 -4 3812.22 3789.65 54.46 o
0 4 -4 4510.25 4540.42 58.82 o
-4 5 -4 7328.23 7426.56 97.40 o
-3 5 -4 1354.95 1532.62 44.87 o
-2 5 -4 4967.60 5024.68 90.19 o
-1 5 -4 1055.83 931.80 50.37 o
0 5 -4 980.91 949.65 49.05 o
-5 6 -4 560.92 589.58 41.94 o
-4 6 -4 765.14 921.79 46.12 o
-3 6 -4 994.29 950.05 48.25 o
-2 6 -4 621.32 1005.36 125.38 o
-1 6 -4 26394.42 26249.94 413.05 o
0 6 -4 981.38 896.97 52.65 o
-6 7 -4 6862.38 6970.95 81.01 o
-5 7 -4 2632.26 2379.42 58.86 o
-4 7 -4 14373.98 14216.79 170.66 o
-3 7 -4 2016.52 2079.34 63.03 o
-2 7 -4 621.64 527.78 55.62 o
-1 7 -4 1387.62 1519.46 69.81 o
0 7 -4 1558.26 1613.55 70.18 o
-7 8 -4 797.29 695.71 74.01 o
-6 8 -4 1314.19 1295.50 69.29 o
-5 8 -4 11198.72 11658.96 208.91 o
-4 8 -4 926.56 772.83 59.54 o
-3 8 -4 2456.29 2474.44 80.83 o
-2 8 -4 1574.69 1652.79 75.75 o
-1 8 -4 3807.21 3859.19 94.98 o
0 8 -4 5810.56 5897.42 125.53 o
-8 9 -4 7782.75 7697.01 201.49 o
-7 9 -4 1571.01 1454.64 94.48 o
-6 9 -4 2399.86 2326.63 87.18 o
-5 9 -4 2877.58 2930.87 98.63 o
-4 9 -4 302.59 320.58 63.84 o
-3 9 -4 6997.44 7134.96 167.75 o
-2 9 -4 2477.42 2472.41 100.10 o
-1 9 -4 1195.39 1097.75 102.63 o
-7 10 -4 336.84 436.83 74.71 o
-6 10 -4 3052.35 3252.56 108.46 o
-5 10 -4 1457.26 1373.01 98.13 o
-4 10 -4 912.96 864.58 91.32 o
-3 10 -4 5951.41 5824.54 151.49 o
0 1 -3 5294.06 5421.66 87.58 o
-1 2 -3 5881.03 5775.27 47.04 o
0 2 -3 41045.82 40912.89 322.04 o
-2 3 -3 5649.87 5724.22 50.62 o
-1 3 -3 1755.21 1883.65 38.79 o
0 3 -3 10344.79 10272.99 68.55 o
-3 4 -3 2656.31 2607.49 35.61 o
-2 4 -3 98.33 135.53 17.34 o
-1 4 -3 26143.67 26599.35 269.66 o
0 4 -3 16419.39 16432.03 154.94 o
-4 5 -3 28525.74 28552.24 305.80 o
-3 5 -3 1474.56 1389.58 36.75 o
-2 5 -3 11947.09 12016.32 130.39 o
-1 5 -3 1201.92 1198.15 47.18 o
0 5 -3 6956.38 6939.17 69.13 o
-5 6 -3 2518.28 2483.04 44.09 o
-4 6 -3 9095.12 8985.67 99.27 o
-3 6 -3 17992.23 17946.89 173.28 o
-2 6 -3 7207.29 7133.78 66.84 o
-1 6 -3 2381.20 2394.88 53.74 o
0 6 -3 3025.48 3002.26 52.21 o
-6 7 -3 27396.99 28170.23 377.40 o
-5 7 -3 1514.63 1442.45 46.41 o
-4 7 -3 2048.81 2175.80 57.49 o
-3 7 -3 9043.41 8922.90 88.31 o
-2 7 -3 7460.34 7403.96 72.30 o
-1 7 -3 7743.46 7640.98 103.25 o
0 7 -3 1900.34 2029.29 59.67 o
-7 8 -3 2022.75 1947.09 70.44 o
-6 8 -3 243.04 273.26 40.95 o
-5 8 -3 1721.71 1689.14 61.56 o
-4 8 -3 563.25 562.95 48.11 o
-3 8 -3 19237.71 19822.55 327.34 o
-2 8 -3 3626.03 3782.13 91.10 o
-1 8 -3 18255.72 18931.31 292.01 o
0 8 -3 967.85 921.28 68.15 o
-8 9 -3 147.78 173.44 54.09 o
-7 9 -3 9471.86 9879.39 147.12 o
-6 9 -3 9685.09 9811.70 180.03 o
-5 9 -3 15056.98 15377.10 239.87 o
-4 9 -3 3534.10 3553.40 70.56 o
-3 9 -3 151.98 169.88 46.44 o
-2 9 -3 1394.28 1520.35 80.94 o
-1 9 -3 4933.70 4991.81 126.91 o
0 9 -3 124.65 133.54 67.37 o
-9 10 -3 994.11 1043.08 106.94 o
-8 10 -3 3763.45 3693.83 115.46 o
-7 10 -3 1029.86 1057.22 84.54 o
-6 10 -3 1231.63 1248.17 81.97 o
-5 10 -3 3407.57 3620.29 92.01 o
-4 10 -3 90.89 170.94 56.60 o
-3 10 -3 888.59 873.44 95.88 o
-2 10 -3 6783.26 7060.71 223.07 o
-1 10 -3 7901.07 8401.82 212.86 o
-7 11 -3 344.53 320.87 66.98 o
-6 11 -3 778.05 723.42 92.58 o
-5 11 -3 11479.46 11851.47 254.29 o
-4 11 -3 346.30 368.72 84.85 o
0 0 -2 88790.22 83156.40 3203.39 o
0 1 -2 3268.25 3513.34 29.57 o
-1 2 -2 19102.19 18795.29 124.58 o
0 2 -2 48584.29 47749.62 353.19 o
-2 3 -2 29141.07 29163.04 291.06 o
-1 3 -2 2797.39 2630.50 23.99 o
0 3 -2 6517.44 6373.84 58.69 o
-3 4 -2 11156.55 11220.47 108.61 o
-2 4 -2 37720.13 38400.22 286.47 o
-1 4 -2 21322.79 21047.34 184.54 o
0 4 -2 16648.01 16492.87 121.10 o
-4 5 -2 9311.88 9310.86 85.48 o
-3 5 -2 1704.93 1715.57 27.86 o
-2 5 -2 6908.01 6760.56 60.86 o
-1 5 -2 3502.11 3376.51 52.88 o
0 5 -2 1773.59 1824.46 32.59 o
-5 6 -2 21689.37 22000.22 198.72 o
-4 6 -2 1063.74 1035.83 32.69 o
-3 6 -2 12330.51 12074.80 127.12 o
-2 6 -2 1081.88 1053.12 34.59 o
-1 6 -2 34650.45 35341.23 529.54 o
0 6 -2 3836.33 3926.15 78.18 o
-6 7 -2 13513.73 13817.56 146.47 o
-5 7 -2 8903.87 8918.01 90.13 o
-4 7 -2 23510.98 23704.78 265.60 o
-3 7 -2 8051.12 8016.92 124.07 o
-2 7 -2 3061.80 3060.98 60.00 o
-1 7 -2 740.00 740.29 42.36 o
0 7 -2 4863.32 4779.03 96.04 o
-7 8 -2 1755.58 1747.79 61.52 o
-6 8 -2 4684.96 4631.29 74.93 o
-5 8 -2 3374.82 3222.87 60.38 o
-4 8 -2 1698.69 1708.37 48.42 o
-3 8 -2 13669.08 13848.65 238.88 o
-2 8 -2 1770.14 1789.61 54.54 o
-1 8 -2 3112.83 3069.78 62.81 o
0 8 -2 8404.49 8227.76 110.43 o
-8 9 -2 15816.26 15985.28 270.38 o
-7 9 -2 3037.08 2972.64 71.47 o
-6 9 -2 4984.02 5009.28 88.91 o
-5 9 -2 3674.44 3700.05 67.59 o
-4 9 -2 6594.81 6551.15 138.57 o
-3 9 -2 13999.66 14260.44 250.89 o
-2 9 -2 268.45 240.78 46.85 o
-1 9 -2 2756.20 2714.72 79.47 o
0 9 -2 2074.56 1931.83 86.53 o
-9 10 -2 860.75 861.56 89.96 o
-8 10 -2 6767.92 7103.35 127.20 o
-7 10 -2 601.29 622.03 70.67 o
-6 10 -2 2887.71 2719.83 75.66 o
-5 10 -2 3530.24 3753.26 90.48 o
-4 10 -2 1466.41 1380.48 74.78 o
-3 10 -2 9256.10 9254.43 148.18 o
-2 10 -2 2991.15 3152.44 93.38 o
-1 10 -2 3855.78 3918.99 177.33 o
0 10 -2 6962.40 7169.49 206.30 o
-9 11 -2 2702.17 2557.69 115.54 o
-8 11 -2 1535.74 1487.22 103.27 o
-7 11 -2 21666.90 21754.26 504.94 o
-6 11 -2 2189.56 1998.93 116.62 o
-5 11 -2 5363.80 5425.89 136.21 o
-4 11 -2 5570.72 5728.18 148.65 o
-3 11 -2 3347.60 3318.44 113.63 o
-2 11 -2 781.61 811.31 104.51 o
0 1 -1 5564.36 5734.33 36.60 o
-1 2 -1 10477.31 10390.66 97.84 o
0 2 -1 66015.59 66418.31 551.55 o
-2 3 -1 3330.37 3469.21 43.15 o
-1 3 -1 1349.81 1481.94 25.49 o
0 3 -1 18922.74 18931.12 214.24 o
-3 4 -1 1023.08 1032.74 27.06 o
-2 4 -1 454.39 532.11 27.64 o
-1 4 -1 37952.96 37747.40 339.46 o
0 4 -1 25822.74 25855.60 257.48 o
-4 5 -1 48572.55 48676.02 433.73 o
-3 5 -1 3226.08 3261.00 67.54 o
-2 5 -1 16604.93 16802.06 130.52 o
-1 5 -1 953.50 984.66 28.38 o
0 5 -1 13713.80 13622.68 168.22 o
-5 6 -1 1122.97 1097.49 33.46 o
-4 6 -1 12041.88 12198.14 131.24 o
-3 6 -1 28594.70 28738.54 262.49 o
-2 6 -1 17719.89 17951.01 171.28 o
-1 6 -1 376.63 432.67 30.48 o
0 6 -1 3136.32 3191.26 46.14 o
-6 7 -1 35367.84 35261.77 471.76 o
-5 7 -1 3019.67 2988.23 57.17 o
-4 7 -1 507.41 495.60 39.22 o
-3 7 -1 18779.65 18848.33 259.47 o
-2 7 -1 12043.58 12188.72 110.38 o
-1 7 -1 13799.93 13712.34 148.63 o
0 7 -1 2617.19 2558.43 70.02 o
-7 8 -1 3468.07 3336.70 66.28 o
-6 8 -1 204.66 182.01 37.76 o
-5 8 -1 609.19 618.08 45.98 o
-4 8 -1 2015.84 2065.38 92.34 o
-3 8 -1 24256.03 24266.05 393.45 o
-2 8 -1 911.10 890.10 49.13 o
-1 8 -1 26443.41 26861.88 301.53 o
0 8 -1 2262.69 2084.08 69.58 o
-8 9 -1 915.14 847.41 68.26 o
-7 9 -1 16680.58 16578.11 211.00 o
-6 9 -1 12681.19 12768.96 161.21 o
-5 9 -1 20061.29 19968.89 355.24 o
-4 9 -1 3064.97 2972.41 83.18 o
-3 9 -1 195.47 236.65 44.47 o
-2 9 -1 1790.60 1666.70 65.18 o
-1 9 -1 7292.85 7302.55 96.64 o
0 9 -1 26.55 86.37 48.57 o
-9 10 -1 2505.07 2569.17 100.41 o
-8 10 -1 4582.09 4467.42 97.98 o
-7 10 -1 549.21 524.03 77.91 o
-6 10 -1 28.76 119.69 45.32 o
-5 10 -1 5016.01 4471.13 105.86 o
-4 10 -1 579.94 501.97 66.72 o
-3 10 -1 222.25 251.26 59.46 o
-2 10 -1 9709.85 9733.66 212.57 o
-1 10 -1 8426.86 8421.94 112.80 o
0 10 -1 7688.13 7577.28 175.17 o
-10 11 -1 5573.26 5713.00 253.29 o
-9 11 -1 8685.93 8679.29 162.68 o
-8 11 -1 3998.29 3703.21 117.65 o
-7 11 -1 517.48 484.32 88.43 o
-6 11 -1 266.50 275.93 77.41 o
-5 11 -1 18366.24 18305.27 350.60 o
-4 11 -1 199.11 239.33 61.59 o
-3 11 -1 13930.76 13953.42 215.44 o
-2 11 -1 1880.13 1885.78 96.23 o
-1 11 -1 382.45 341.06 70.47 o
-7 12 -1 633.00 547.86 95.55 o
-6 12 -1 442.81 593.12 89.27 o
-5 12 -1 1713.56 1657.94 127.22 o
0 2 0 18570.67 19675.75 225.02 o
-2 3 0 28939.34 26865.16 603.05 o
-1 3 0 1073.38 1638.56 68.97 o
-3 4 0 49397.51 47510.53 631.72 o
-2 4 0 125874.06 124868.03 1113.03 o
-1 4 0 15508.54 16456.32 153.59 o
0 4 0 17071.62 17403.06 167.79 o
-4 5 0 877.56 1069.85 47.71 o
-3 5 0 119.54 127.74 25.36 o
-2 5 0 11502.10 11942.72 164.68 o
-1 5 0 15582.58 15214.78 99.46 o
0 5 0 881.63 829.54 30.43 o
-5 6 0 2648.41 2863.88 73.94 o
-4 6 0 311.05 339.62 32.36 o
-3 6 0 2642.21 2423.23 50.09 o
-2 6 0 2326.66 2435.59 41.01 o
-1 6 0 53528.13 52942.41 493.11 o
0 6 0 9749.12 9122.45 120.95 o
-6 7 0 20085.60 20218.62 177.81 o
-5 7 0 22142.92 22040.92 229.78 o
-4 7 0 31289.37 30606.30 305.31 o
-3 7 0 6946.59 6921.07 170.14 o
-2 7 0 1701.86 1570.67 50.98 o
-1 7 0 1465.75 1367.44 46.95 o
0 7 0 3642.66 3708.86 65.21 o
-7 8 0 8679.55 8561.92 141.62 o
-6 8 0 5274.49 5183.83 81.41 o
-5 8 0 19222.65 18392.62 247.16 o
-4 8 0 2017.17 1878.45 59.59 o
-3 8 0 9054.38 8640.60 144.12 o
-2 8 0 3849.01 3766.96 72.10 o
-1 8 0 129.01 174.85 39.54 o
0 8 0 12207.81 12164.57 113.58 o
-8 9 0 14271.11 14507.33 246.11 o
-7 9 0 5055.79 5103.97 101.40 o
-6 9 0 145.70 143.39 46.61 o
-5 9 0 7038.09 6660.81 115.38 o
-4 9 0 1673.99 1583.98 66.77 o
-3 9 0 31837.02 30764.73 340.23 o
-2 9 0 4481.35 4145.83 81.29 o
-1 9 0 1226.99 1165.28 65.15 o
0 9 0 14215.33 14281.88 234.14 o
-9 10 0 742.04 714.84 78.16 o
-8 10 0 26.54 88.04 50.42 o
-7 10 0 34.70 99.53 48.07 o
-6 10 0 5951.49 5722.62 108.67 o
-5 10 0 38.64 86.96 39.94 o
-4 10 0 1037.31 969.69 65.93 o
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-1 10 0 6544.39 6510.43 125.50 o
0 10 0 3508.09 3332.45 134.26 o
-10 11 0 155.49 241.08 84.78 o
-9 11 0 3383.08 3331.06 131.80 o
-8 11 0 2048.40 1966.19 110.88 o
-7 11 0 36453.82 36538.79 764.09 o
-6 11 0 7550.15 7154.32 184.54 o
-5 11 0 8858.83 8732.22 193.32 o
-4 11 0 907.76 847.73 97.10 o
-3 11 0 5813.55 5358.18 138.51 o
-2 11 0 542.12 523.70 88.67 o
-1 11 0 6085.66 6295.81 164.83 o
-8 12 0 71.33 134.71 74.52 o
-7 12 0 91.80 109.77 65.38 o
-6 12 0 102.49 95.30 60.10 o
-5 12 0 295.47 246.98 72.00 o
-4 12 0 1014.65 979.25 105.59 o
0 1 1 5237.77 5354.08 193.34 o
-1 2 1 11026.09 11161.50 138.70 o
0 2 1 66325.66 68110.67 565.59 o
-2 3 1 3050.22 3181.34 48.89 o
-1 3 1 1586.77 1768.41 45.79 o
0 3 1 19868.15 20232.68 343.77 o
-3 4 1 948.05 1023.84 60.37 o
-2 4 1 448.40 460.72 29.49 o
-1 4 1 37503.44 37774.05 670.97 o
0 4 1 24528.54 24417.15 178.98 o
-4 5 1 49724.25 50283.46 258.03 o
-3 5 1 3282.60 3408.01 115.32 o
-2 5 1 15491.66 15475.88 220.03 o
-1 5 1 1042.26 1140.12 48.12 o
0 5 1 12434.60 12198.08 132.22 o
-5 6 1 1241.46 1260.87 49.29 o
-4 6 1 11270.55 11535.44 108.95 o
-3 6 1 28595.16 28078.58 287.11 o
-2 6 1 18476.80 18154.41 281.67 o
-1 6 1 576.21 621.23 46.00 o
0 6 1 2738.55 2716.87 57.37 o
-6 7 1 36647.22 36481.40 389.34 o
-5 7 1 2834.56 2896.46 69.70 o
-4 7 1 384.38 393.27 51.59 o
-3 7 1 18523.12 18088.73 173.16 o
-2 7 1 12569.89 12461.91 165.18 o
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