#------------------------------------------------------------------------------
#$Date: 2009-05-13 10:52:48 +0300 (Wed, 13 May 2009) $
#$Revision: 717 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2104310.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_2104310_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                   9.8003
_cell_length_b                   9.8003
_cell_length_c                   5.7879
_exptl_crystal_F_000             778.00
_reflns_d_resolution_high        0.8007
_[local]_cod_data_source_file    bp5017dysup9.hkl
_[local]_cod_data_source_block   dy
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  Dy3AgGeS7 in P6(3)'
_shelx_refln_list_code           4
_shelx_F_calc_maximum            344.70
_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 2653.59 2581.56 104.25 o
-1 2 -7 1025.05 974.86 96.76 o
0 2 -7 4383.15 3954.24 118.38 o
-2 3 -7 81.44 80.93 47.28 o
-1 3 -7 849.52 709.61 81.04 o
0 0 -6 6440.10 6112.29 249.16 o
0 1 -6 1566.74 1589.82 62.96 o
-1 2 -6 5021.67 4771.18 86.78 o
0 2 -6 4208.36 3909.40 77.11 o
-2 3 -6 10895.99 11316.70 123.55 o
-1 3 -6 35.34 87.15 39.78 o
0 3 -6 1209.82 1216.29 65.66 o
-3 4 -6 4143.95 4226.48 88.74 o
-2 4 -6 3518.18 3793.28 95.70 o
-1 4 -6 1706.96 1509.89 87.15 o
0 4 -6 954.25 765.59 74.13 o
-4 5 -6 3936.89 3608.00 110.49 o
-3 5 -6 929.21 829.97 82.50 o
-1 5 -6 1436.52 1468.09 82.80 o
0 5 -6 1683.93 1912.12 110.89 o
-5 6 -6 3072.68 2900.76 120.08 o
-4 6 -6 536.20 526.15 82.79 o
-3 6 -6 6734.11 6655.93 133.16 o
-2 6 -6 317.24 271.77 71.14 o
-1 6 -6 13578.39 14396.17 191.87 o
0 1 -5 7595.50 7427.80 81.72 o
-1 2 -5 3365.19 3330.50 55.79 o
0 2 -5 8738.17 8780.87 90.18 o
-2 3 -5 2547.53 2503.25 58.37 o
-1 3 -5 3685.64 3683.31 65.50 o
0 3 -5 3204.10 3316.53 62.17 o
-3 4 -5 969.33 948.19 53.43 o
-2 4 -5 236.16 220.20 39.42 o
-1 4 -5 20451.54 20783.91 327.44 o
0 4 -5 930.00 1000.61 61.90 o
-4 5 -5 14023.26 14429.33 170.22 o
-3 5 -5 390.52 426.19 64.95 o
-2 5 -5 11087.91 11424.02 240.20 o
-1 5 -5 819.89 717.64 61.61 o
0 5 -5 477.76 457.82 59.46 o
-5 6 -5 3699.90 3966.29 123.69 o
-4 6 -5 180.94 211.21 55.16 o
-3 6 -5 8913.58 8834.12 123.58 o
-2 6 -5 1586.29 1697.03 96.83 o
-1 6 -5 2266.20 2273.20 90.22 o
0 6 -5 1460.60 1524.90 108.01 o
-6 7 -5 19380.20 20830.41 677.32 o
-5 7 -5 742.08 893.30 100.43 o
-4 7 -5 923.10 862.71 91.66 o
-3 7 -5 1379.63 1300.69 100.82 o
-2 7 -5 3481.97 3518.06 116.34 o
-1 7 -5 543.80 475.25 92.59 o
0 7 -5 3.17 133.72 80.78 o
-7 8 -5 657.98 677.13 132.55 o
-6 8 -5 1790.37 1736.22 158.58 o
-5 8 -5 624.10 717.80 112.95 o
-4 8 -5 1419.80 1424.34 116.39 o
-3 8 -5 14062.53 14717.86 403.45 o
-2 8 -5 3511.70 3668.42 146.49 o
-1 8 -5 7738.47 7869.62 183.17 o
0 1 -4 708.47 855.76 31.07 o
-1 2 -4 8122.61 8004.69 64.37 o
0 2 -4 4024.32 3922.43 53.01 o
-2 3 -4 13745.49 13744.66 124.26 o
-1 3 -4 67.02 92.96 27.02 o
0 3 -4 4716.66 4506.92 79.64 o
-3 4 -4 22594.78 23667.48 392.28 o
-2 4 -4 19072.80 19540.03 171.33 o
-1 4 -4 4637.25 4500.63 75.14 o
0 4 -4 4708.10 4783.49 74.60 o
-4 5 -4 7521.46 7555.84 151.50 o
-3 5 -4 1128.61 1323.73 55.34 o
-2 5 -4 4936.16 4928.34 65.29 o
-1 5 -4 1215.57 1073.05 59.45 o
0 5 -4 561.42 570.56 67.45 o
-5 6 -4 564.11 577.79 62.38 o
-4 6 -4 531.63 619.57 56.64 o
-3 6 -4 1278.56 1270.62 60.80 o
-2 6 -4 327.91 367.70 44.72 o
-1 6 -4 27304.48 28000.38 388.63 o
0 6 -4 799.61 666.17 73.97 o
-6 7 -4 7129.00 7173.96 247.70 o
-5 7 -4 3614.51 3637.60 149.25 o
-4 7 -4 13657.63 13720.51 245.88 o
-3 7 -4 2634.69 2576.24 81.11 o
-2 7 -4 469.46 380.18 62.98 o
-1 7 -4 1463.07 1609.68 88.90 o
0 7 -4 1528.66 1506.82 94.68 o
-7 8 -4 586.27 542.65 99.70 o
-6 8 -4 1064.01 1157.41 115.83 o
-5 8 -4 11407.62 11485.68 215.62 o
-4 8 -4 1345.41 1186.08 93.85 o
-3 8 -4 2750.04 2833.43 101.23 o
-2 8 -4 1676.16 1784.75 110.07 o
-1 8 -4 3596.18 3444.78 120.85 o
0 8 -4 7467.61 7663.08 143.95 o
-8 9 -4 6634.59 6553.45 175.21 o
-7 9 -4 2285.33 2215.13 157.87 o
-6 9 -4 2148.02 2038.27 151.28 o
-5 9 -4 3227.51 3166.16 153.09 o
-4 9 -4 94.81 145.84 71.98 o
-3 9 -4 7341.48 6845.60 268.31 o
-2 9 -4 1841.61 1817.05 137.54 o
-1 9 -4 828.17 765.99 116.73 o
-6 10 -4 2957.76 3093.57 191.72 o
-5 10 -4 1792.01 1747.26 163.18 o
-4 10 -4 1572.77 1430.09 150.49 o
0 1 -3 5218.46 5180.44 47.98 o
-1 2 -3 6521.35 6519.35 40.98 o
0 2 -3 39182.37 39262.07 285.62 o
-2 3 -3 6007.24 6123.32 47.48 o
-1 3 -3 1844.43 1898.63 29.73 o
0 3 -3 10208.88 10111.31 129.22 o
-3 4 -3 2676.36 2679.75 39.26 o
-2 4 -3 156.52 172.58 24.60 o
-1 4 -3 28191.89 28363.01 197.00 o
0 4 -3 14437.01 14750.83 157.71 o
-4 5 -3 29061.20 29112.04 524.92 o
-3 5 -3 2199.13 2142.25 39.62 o
-2 5 -3 11129.90 11384.16 86.82 o
-1 5 -3 1228.42 1322.64 39.39 o
0 5 -3 8169.55 8274.13 86.21 o
-5 6 -3 2703.41 2635.69 50.82 o
-4 6 -3 7843.40 7860.85 130.67 o
-3 6 -3 18983.31 19114.05 232.89 o
-2 6 -3 6568.94 6651.82 87.04 o
-1 6 -3 2184.17 2154.97 52.58 o
0 6 -3 3507.08 3523.51 63.84 o
-6 7 -3 27618.70 28243.39 377.02 o
-5 7 -3 1308.11 1268.78 55.77 o
-4 7 -3 2055.56 2061.17 62.32 o
-3 7 -3 10464.68 10242.87 144.84 o
-2 7 -3 6179.75 6374.18 77.62 o
-1 7 -3 7714.00 7617.18 93.95 o
0 7 -3 3050.06 2951.75 111.38 o
-7 8 -3 1684.70 1611.11 72.86 o
-6 8 -3 317.36 313.35 47.70 o
-5 8 -3 1516.53 1440.46 78.12 o
-4 8 -3 1089.27 1026.55 64.06 o
-3 8 -3 19693.59 20284.12 191.90 o
-2 8 -3 4235.07 4393.98 99.62 o
-1 8 -3 17732.01 18432.19 209.41 o
0 8 -3 813.20 815.44 71.55 o
-8 9 -3 168.59 199.60 54.48 o
-7 9 -3 10970.13 11345.51 164.11 o
-6 9 -3 7725.96 7869.48 184.81 o
-5 9 -3 16834.14 16894.11 236.80 o
-4 9 -3 2744.10 2732.89 88.21 o
-3 9 -3 105.40 189.34 49.28 o
-2 9 -3 1382.43 1402.17 75.22 o
-1 9 -3 4869.12 4788.13 105.74 o
0 9 -3 161.57 164.21 58.52 o
-9 10 -3 467.82 462.67 87.55 o
-8 10 -3 3721.62 3624.50 110.56 o
-7 10 -3 1033.81 1071.12 101.64 o
-6 10 -3 1375.19 1374.21 100.08 o
-5 10 -3 3045.66 3097.43 109.32 o
-4 10 -3 115.23 155.81 52.21 o
-3 10 -3 720.99 674.50 69.82 o
-2 10 -3 8749.02 8986.79 130.17 o
-1 10 -3 6697.12 6638.64 145.01 o
-7 11 -3 350.66 314.77 94.72 o
-6 11 -3 1150.85 1163.15 106.38 o
-5 11 -3 11610.59 11750.00 167.91 o
-4 11 -3 627.13 552.72 91.57 o
0 1 -2 3849.84 4087.95 34.99 o
-1 2 -2 18760.24 18735.48 139.10 o
0 2 -2 47718.47 47098.72 468.12 o
-2 3 -2 30364.06 30259.47 490.36 o
-1 3 -2 3910.05 3748.81 38.63 o
0 3 -2 5133.81 5148.64 61.97 o
-3 4 -2 13063.94 12826.68 136.35 o
-2 4 -2 34904.45 35151.80 432.00 o
-1 4 -2 22782.48 22886.92 215.23 o
0 4 -2 15871.44 15807.69 219.14 o
-4 5 -2 8462.90 8389.07 117.15 o
-3 5 -2 1952.71 1912.28 36.42 o
-2 5 -2 7334.07 7382.80 124.84 o
-1 5 -2 3061.63 3033.66 55.31 o
0 5 -2 1134.00 1115.06 38.30 o
-5 6 -2 22002.18 21908.79 127.08 o
-4 6 -2 1197.70 1160.49 41.54 o
-3 6 -2 13088.10 13075.51 153.31 o
-2 6 -2 789.36 1082.41 128.47 o
-1 6 -2 35834.41 36246.09 531.70 o
0 6 -2 2492.20 2599.42 57.12 o
-6 7 -2 13091.52 13022.61 213.59 o
-5 7 -2 11018.56 10991.31 182.84 o
-4 7 -2 20305.52 20682.75 180.46 o
-3 7 -2 9526.98 9523.82 96.21 o
-2 7 -2 2171.26 2232.63 51.41 o
-1 7 -2 910.56 950.42 51.88 o
0 7 -2 5124.26 4955.53 74.04 o
-7 8 -2 1975.08 1898.48 64.56 o
-6 8 -2 4181.00 4066.69 76.87 o
-5 8 -2 3629.76 3574.06 75.18 o
-4 8 -2 1421.26 1349.74 63.20 o
-3 8 -2 12970.67 13019.78 252.10 o
-2 8 -2 2091.32 1988.77 62.16 o
-1 8 -2 2564.64 2470.55 66.69 o
0 8 -2 9404.35 9497.72 189.95 o
-8 9 -2 12884.12 12756.65 286.60 o
-7 9 -2 3918.90 3860.41 88.68 o
-6 9 -2 4460.31 4171.07 92.57 o
-5 9 -2 4176.27 4182.53 93.78 o
-4 9 -2 5809.73 5415.64 93.79 o
-3 9 -2 14108.73 14149.10 276.23 o
-2 9 -2 431.58 447.88 59.90 o
-1 9 -2 2201.49 2161.52 75.46 o
0 9 -2 2661.69 2623.49 97.13 o
-9 10 -2 1130.00 1052.33 82.66 o
-8 10 -2 7598.04 7611.69 258.74 o
-7 10 -2 438.45 514.31 71.01 o
-6 10 -2 2533.93 2468.36 93.62 o
-5 10 -2 3614.84 3636.37 96.45 o
-4 10 -2 2549.39 2453.97 97.89 o
-3 10 -2 8165.07 8180.30 142.78 o
-2 10 -2 3749.18 3666.13 123.47 o
-1 10 -2 3870.93 3917.11 124.69 o
0 10 -2 7582.93 7669.04 159.97 o
-9 11 -2 3044.51 2910.62 128.16 o
-8 11 -2 965.23 927.34 113.81 o
-7 11 -2 22795.71 22912.94 679.17 o
-6 11 -2 929.89 929.10 90.08 o
-5 11 -2 5693.45 5603.36 122.04 o
-4 11 -2 5335.34 5357.86 121.20 o
-3 11 -2 3451.42 3270.78 110.86 o
-2 11 -2 612.94 576.87 83.42 o
0 1 -1 5292.95 5528.54 52.66 o
-1 2 -1 11330.63 11273.59 166.43 o
0 2 -1 63054.16 63944.06 883.54 o
-2 3 -1 3391.40 3547.73 72.01 o
0 3 -1 18005.07 18009.65 252.81 o
-3 4 -1 1186.97 1216.25 30.39 o
-2 4 -1 566.70 592.53 24.73 o
-1 4 -1 39336.29 40111.32 267.93 o
0 4 -1 22215.63 22087.07 179.09 o
-4 5 -1 47848.73 47415.13 604.67 o
-3 5 -1 4599.00 4442.22 69.43 o
-2 5 -1 14829.18 14680.74 162.33 o
-1 5 -1 1122.22 1098.13 36.81 o
0 5 -1 15047.24 14753.32 121.12 o
-5 6 -1 1210.24 1521.49 133.17 o
-4 6 -1 9635.34 9429.92 171.44 o
-3 6 -1 29305.62 29483.24 352.75 o
-2 6 -1 16203.64 16266.98 173.19 o
-1 6 -1 409.52 556.12 43.48 o
0 6 -1 3999.60 4042.04 73.43 o
-6 7 -1 33603.52 33243.99 644.65 o
-5 7 -1 2517.82 2468.13 66.40 o
-4 7 -1 391.34 376.08 35.94 o
-3 7 -1 20422.47 20539.31 306.43 o
-2 7 -1 9612.54 9503.97 151.09 o
-1 7 -1 13299.63 13215.28 137.16 o
0 7 -1 4552.44 4481.54 70.33 o
-7 8 -1 2775.53 2636.16 59.90 o
-6 8 -1 27.93 78.00 25.79 o
-5 8 -1 447.38 426.04 42.19 o
-4 8 -1 2746.34 2663.81 84.09 o
-3 8 -1 23415.80 22934.01 475.98 o
-2 8 -1 1463.24 1341.24 54.60 o
-1 8 -1 24810.71 25049.22 297.19 o
0 8 -1 1885.67 1896.74 65.02 o
-8 9 -1 914.18 998.84 66.32 o
-7 9 -1 18760.30 19330.84 359.47 o
-6 9 -1 9877.85 9515.92 218.97 o
-5 9 -1 22087.64 21675.01 499.72 o
-4 9 -1 2031.37 1980.20 64.37 o
-3 9 -1 129.66 147.88 39.69 o
-2 9 -1 1789.39 1752.92 65.15 o
-1 9 -1 6815.24 6815.89 153.98 o
0 9 -1 107.30 171.86 50.97 o
-9 10 -1 1341.43 1291.02 83.34 o
-8 10 -1 4587.81 4457.70 110.50 o
-7 10 -1 588.71 500.34 72.63 o
-6 10 -1 133.91 101.92 44.73 o
-5 10 -1 4294.85 4011.56 129.34 o
-4 10 -1 613.60 558.97 59.48 o
-3 10 -1 172.09 204.95 46.22 o
-2 10 -1 12119.73 12100.43 242.59 o
-1 10 -1 6303.65 6429.85 159.15 o
0 10 -1 8879.08 9225.63 131.11 o
-9 11 -1 10004.42 10342.01 165.99 o
-8 11 -1 2923.96 2933.20 135.67 o
-7 11 -1 508.83 535.04 86.33 o
-6 11 -1 557.18 515.53 67.65 o
-5 11 -1 17994.80 18327.95 240.66 o
-4 11 -1 787.76 718.72 76.13 o
-3 11 -1 11474.60 11598.80 141.67 o
-2 11 -1 2668.92 2670.67 102.49 o
-7 12 -1 821.37 725.29 81.55 o
-6 12 -1 959.17 911.44 97.07 o
-5 12 -1 1058.85 1009.35 100.76 o
0 2 0 17254.35 16838.84 217.71 o
-2 3 0 29629.40 28767.47 633.45 o
-1 3 0 1387.56 1519.02 38.01 o
0 3 0 77.78 141.54 22.64 o
-3 4 0 54573.66 52661.31 864.34 o
-2 4 0 118816.66 117487.66 1449.84 o
-1 4 0 16408.93 16007.55 269.87 o
0 4 0 15658.22 15899.29 290.67 o
-4 5 0 604.31 610.56 32.66 o
-3 5 0 156.77 219.59 28.41 o
-2 5 0 11364.89 11160.75 192.00 o
-1 5 0 17233.93 17328.24 171.90 o
0 5 0 400.08 450.57 29.08 o
-5 6 0 2217.92 2265.38 68.69 o
-4 6 0 143.88 153.27 24.79 o
-3 6 0 2231.15 2260.50 56.93 o
-2 6 0 1248.29 1316.98 55.27 o
-1 6 0 53838.63 54848.69 861.70 o
0 6 0 7788.19 7933.37 113.87 o
-6 7 0 18462.00 18221.01 168.76 o
-5 7 0 27005.30 26550.14 370.27 o
-4 7 0 28238.63 27308.14 396.44 o
-3 7 0 7611.56 7327.91 131.96 o
-2 7 0 3196.94 3173.34 68.43 o
-1 7 0 1722.29 1729.49 57.29 o
0 7 0 3503.69 3586.53 76.97 o
-7 8 0 7461.13 7549.77 94.04 o
-6 8 0 3724.73 3614.05 76.02 o
-5 8 0 19459.94 19186.68 233.31 o
-4 8 0 1243.51 1230.34 61.52 o
-3 8 0 8343.37 8016.37 116.72 o
-2 8 0 3655.04 3698.67 97.18 o
-1 8 0 48.43 84.04 31.75 o
0 8 0 14867.05 15108.43 187.70 o
-8 9 0 11584.96 11708.87 158.20 o
-7 9 0 5903.58 5806.59 105.50 o
-6 9 0 18.87 59.61 29.90 o
-5 9 0 7210.41 6725.04 256.59 o
-4 9 0 671.00 628.59 57.87 o
-3 9 0 33107.87 33320.45 397.47 o
-2 9 0 3188.36 3168.80 94.46 o
-1 9 0 642.30 566.53 53.68 o
0 9 0 16305.54 16616.88 285.54 o
-9 10 0 848.19 899.47 76.72 o
-8 10 0 39.24 113.15 43.99 o
-7 10 0 375.27 391.05 54.14 o
-6 10 0 5614.98 5305.20 159.02 o
-5 10 0 20.05 69.71 37.67 o
-4 10 0 2222.33 2100.05 126.79 o
-3 10 0 9060.33 8931.32 116.42 o
-2 10 0 174.81 175.26 46.21 o
-1 10 0 5816.95 5853.61 108.60 o
0 10 0 2926.48 2829.38 122.38 o
-10 11 0 546.68 679.57 88.70 o
-9 11 0 3489.72 3636.72 139.16 o
-8 11 0 862.50 830.72 89.26 o
-7 11 0 38839.15 39319.57 728.43 o
-6 11 0 5206.88 4926.29 111.32 o
-5 11 0 8328.52 8270.11 150.37 o
-4 11 0 1379.93 1231.41 93.33 o
-3 11 0 5327.14 5388.89 170.59 o
-2 11 0 892.36 769.31 72.94 o
-1 11 0 4770.07 4894.58 133.47 o
-8 12 0 6.10 72.11 57.61 o
-7 12 0 10.44 102.33 51.66 o
-6 12 0 95.08 122.11 60.82 o
-5 12 0 128.90 184.57 65.68 o
-4 12 0 1290.45 1108.14 101.28 o
0 1 1 5001.76 5334.90 78.60 o
-1 2 1 11896.99 12074.98 197.78 o
0 2 1 63166.85 62059.45 833.33 o
-2 3 1 3050.01 3260.15 58.03 o
0 3 1 18897.69 19584.88 552.05 o
-3 4 1 1093.13 1164.15 34.20 o
-2 4 1 548.28 614.96 30.52 o
-1 4 1 38984.76 37860.39 600.27 o
0 4 1 21048.31 20584.46 332.11 o
-4 5 1 48942.71 49886.05 642.55 o
-3 5 1 4629.99 4591.32 84.24 o
-2 5 1 13898.75 13802.75 243.26 o
-1 5 1 1209.55 1247.60 24.22 o
0 5 1 13778.01 13816.21 209.17 o
-5 6 1 1335.79 1368.49 43.63 o
-4 6 1 8891.93 9068.62 115.37 o
-3 6 1 29271.96 28869.60 423.74 o
-2 6 1 16902.24 16771.16 102.43 o
-1 6 1 615.89 664.77 45.42 o
0 6 1 3585.75 3571.93 61.38 o
-6 7 1 34887.20 34672.36 656.68 o
-5 7 1 2364.55 2260.82 60.63 o
-4 7 1 287.96 343.36 45.99 o
-3 7 1 20212.29 20664.21 254.40 o
-2 7 1 10054.81 10105.53 161.47 o
-1 7 1 12682.43 13341.84 162.89 o
0 7 1 4191.47 4175.28 93.83 o
-7 8 1 2694.22 2569.33 89.27 o
-6 8 1 17.98 136.25 40.96 o
-5 8 1 384.91 353.18 52.18 o
-4 8 1 2585.30 2506.74 77.67 o
-3 8 1 24111.62 24124.92 462.63 o
-2 8 1 1930.68 2050.44 82.19 o
-1 8 1 23232.73 23849.28 445.57 o
0 8 1 1950.17 1918.88 68.16 o
-8 9 1 1153.90 1202.06 72.63 o
-7 9 1 19615.55 19351.88 281.26 o
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