#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/43/2104309.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_2104309_Fobs
loop_
_publ_author_name
'Daszkiewicz, Marek'
'Gulay, Lubomir D.'
'Lychmanyuk, Olga S.'
_publ_section_title
;
Ln~3~M~1{-~\d}TX~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 9.9003
_cell_length_b 9.9003
_cell_length_c 5.7654
_exptl_crystal_F_000 772.00
_reflns_d_resolution_high 0.8212
_[local]_cod_data_source_file bp5017tbsup8.hkl
_[local]_cod_data_source_block tb
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' Tb3AgGeS7 in P6(3)'
_shelx_refln_list_code 4
_shelx_F_calc_maximum 336.61
_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 0 -6 8535.93 9008.86 258.56 o
0 1 -6 1767.88 1807.44 29.76 o
-1 2 -6 5496.53 5850.81 75.81 o
0 2 -6 4601.49 4807.25 79.76 o
-2 3 -6 11725.06 12137.03 96.60 o
-1 3 -6 17.93 62.84 17.65 o
0 3 -6 1168.87 1255.47 33.00 o
-3 4 -6 5220.13 5544.28 92.57 o
-2 4 -6 3783.43 3993.84 62.83 o
-1 4 -6 2192.31 2116.10 38.37 o
0 4 -6 1019.94 983.62 33.16 o
-4 5 -6 3851.85 3696.97 85.44 o
-3 5 -6 884.32 810.22 37.17 o
-1 5 -6 1443.26 1589.83 51.97 o
0 5 -6 1221.08 1241.77 37.87 o
-4 6 -6 596.49 466.29 33.11 o
-3 6 -6 6933.52 6926.41 103.78 o
-2 6 -6 529.82 470.66 38.57 o
0 1 -5 7602.77 7890.74 47.88 o
-1 2 -5 3761.67 3887.28 42.68 o
0 2 -5 7938.37 8164.91 82.43 o
-2 3 -5 2362.26 2375.34 43.93 o
-1 3 -5 3212.69 3256.83 47.44 o
0 3 -5 3623.08 3745.43 50.48 o
-3 4 -5 907.12 872.06 24.07 o
-2 4 -5 259.23 257.92 18.66 o
-1 4 -5 22665.58 23547.17 191.13 o
0 4 -5 633.31 638.88 21.74 o
-4 5 -5 14930.95 15307.09 209.22 o
-3 5 -5 272.72 254.76 21.71 o
-2 5 -5 10911.37 11167.84 189.71 o
-1 5 -5 802.11 786.83 23.69 o
0 5 -5 624.75 654.09 23.03 o
-5 6 -5 3969.83 4119.47 70.44 o
-4 6 -5 44.01 76.39 18.30 o
-3 6 -5 9728.66 10117.59 135.20 o
-2 6 -5 1423.52 1527.14 34.39 o
-1 6 -5 2402.28 2350.11 37.58 o
0 6 -5 1873.25 1829.48 56.18 o
-6 7 -5 20366.48 21061.68 300.63 o
-5 7 -5 749.83 733.13 31.09 o
-4 7 -5 1071.37 1064.84 46.76 o
-3 7 -5 2082.01 2094.96 39.45 o
-2 7 -5 2934.07 2991.40 46.81 o
-1 7 -5 616.91 540.63 36.10 o
0 7 -5 143.55 172.14 25.62 o
-6 8 -5 2110.24 1999.11 50.94 o
-5 8 -5 736.18 763.03 38.50 o
-4 8 -5 1647.06 1647.30 39.83 o
-3 8 -5 15211.22 15530.15 303.04 o
-2 8 -5 4903.90 4879.45 83.68 o
0 0 -4 82724.95 85313.94 1527.59 o
-1 2 -4 8948.56 8916.08 67.17 o
0 2 -4 4521.18 4412.90 45.56 o
-2 3 -4 13586.98 14137.39 126.26 o
-1 3 -4 240.16 199.78 12.03 o
0 3 -4 4529.33 4261.16 42.45 o
-3 4 -4 24729.61 26123.10 210.60 o
-2 4 -4 17280.08 17546.07 138.17 o
-1 4 -4 5752.78 5686.65 67.08 o
0 4 -4 5060.99 4927.03 77.02 o
-4 5 -4 7619.96 7425.33 85.97 o
-2 5 -4 5130.79 5045.49 52.27 o
-1 5 -4 1201.35 1120.56 23.08 o
0 5 -4 178.61 193.44 17.16 o
-5 6 -4 632.73 642.05 26.63 o
-4 6 -4 343.35 439.86 22.44 o
-3 6 -4 1668.46 1704.83 56.33 o
-2 6 -4 145.66 208.84 17.42 o
-1 6 -4 27176.41 27893.79 403.83 o
0 6 -4 703.12 554.62 25.09 o
-6 7 -4 7494.96 7377.05 100.94 o
-5 7 -4 4739.52 4629.43 93.58 o
-4 7 -4 12164.08 12619.81 92.59 o
-3 7 -4 3543.12 3543.20 42.74 o
-1 7 -4 1328.12 1507.45 63.29 o
0 7 -4 1647.76 1560.38 39.29 o
-7 8 -4 380.82 309.09 26.61 o
-6 8 -4 878.50 833.70 33.94 o
-5 8 -4 10885.53 11189.81 84.90 o
-4 8 -4 1966.39 1837.27 38.02 o
-3 8 -4 3132.61 2997.31 63.80 o
-2 8 -4 1917.28 1902.58 59.58 o
-1 8 -4 3331.62 3256.27 76.07 o
0 8 -4 9123.64 9416.06 145.01 o
-8 9 -4 5074.32 5075.68 105.69 o
-7 9 -4 3196.77 3146.39 62.72 o
-6 9 -4 1984.43 1911.70 45.26 o
-5 9 -4 3860.89 3723.38 59.46 o
-4 9 -4 18.65 62.32 28.02 o
-3 9 -4 7442.42 7529.36 94.67 o
-2 9 -4 1205.85 1342.04 45.61 o
-1 9 -4 494.40 515.78 41.22 o
0 1 -3 5092.16 5197.39 37.52 o
-1 2 -3 7070.81 7236.02 50.29 o
0 2 -3 36237.05 37496.30 343.58 o
-2 3 -3 6418.88 6440.71 39.27 o
-1 3 -3 2084.85 2074.10 21.98 o
0 3 -3 9819.64 9884.65 102.14 o
-3 4 -3 2636.26 2643.43 27.96 o
-2 4 -3 243.37 262.00 12.55 o
-1 4 -3 29908.81 30929.22 390.66 o
0 4 -3 12259.16 12304.11 137.36 o
-4 5 -3 29220.35 30014.60 316.23 o
-3 5 -3 3180.78 3181.61 30.08 o
-2 5 -3 10217.92 10325.31 80.08 o
-1 5 -3 1174.05 1177.31 21.30 o
0 5 -3 9577.63 9784.27 102.24 o
-5 6 -3 2785.98 2761.76 45.47 o
-4 6 -3 6488.67 6509.89 68.53 o
-3 6 -3 19690.05 20146.56 133.80 o
-2 6 -3 5818.11 5812.34 62.56 o
-1 6 -3 1916.93 1912.62 30.37 o
0 6 -3 4169.68 4184.41 77.97 o
-6 7 -3 27741.43 28485.71 443.71 o
-5 7 -3 1160.38 1140.18 25.94 o
-4 7 -3 2018.80 2148.19 35.30 o
-3 7 -3 12108.98 12198.86 131.74 o
-2 7 -3 4901.64 4883.86 70.23 o
-1 7 -3 7555.38 7543.00 113.25 o
0 7 -3 4697.43 4714.88 65.97 o
-7 8 -3 1227.22 1199.99 29.85 o
-6 8 -3 591.18 635.70 24.93 o
-5 8 -3 1327.13 1330.52 33.47 o
-4 8 -3 1879.42 1933.23 44.03 o
-3 8 -3 19617.47 20386.74 284.37 o
-2 8 -3 5393.54 5589.42 85.74 o
-1 8 -3 16908.67 17189.43 233.99 o
0 8 -3 692.52 679.51 28.84 o
-8 9 -3 222.14 260.79 31.17 o
-7 9 -3 12737.58 13190.03 243.25 o
-6 9 -3 5776.74 5723.19 103.97 o
-5 9 -3 18666.38 19190.79 403.37 o
-4 9 -3 2198.68 2238.11 51.59 o
-3 9 -3 69.87 166.59 32.17 o
-2 9 -3 1342.48 1430.84 44.16 o
-1 9 -3 4844.72 4906.26 120.08 o
0 9 -3 274.70 270.92 31.38 o
-8 10 -3 3723.33 3654.92 117.37 o
-7 10 -3 1023.14 1034.34 50.74 o
-6 10 -3 1650.14 1693.69 107.71 o
-5 10 -3 2621.84 2695.32 71.86 o
-4 10 -3 171.14 215.39 45.65 o
-3 10 -3 604.28 530.43 45.76 o
-2 10 -3 11194.09 11038.18 295.57 o
0 0 -2 89506.42 91076.31 1889.13 o
0 1 -2 4541.34 4909.49 34.57 o
-1 2 -2 17893.64 18297.85 145.17 o
0 2 -2 45354.14 46782.44 519.33 o
-2 3 -2 32208.23 32540.91 245.35 o
-1 3 -2 4961.97 5006.72 64.14 o
0 3 -2 3559.71 3561.42 30.63 o
-3 4 -2 15606.61 15597.24 114.40 o
-2 4 -2 32223.68 32724.99 137.16 o
-1 4 -2 23697.92 23887.03 165.36 o
0 4 -2 14369.72 14394.43 130.23 o
-4 5 -2 7316.20 7302.16 79.67 o
-3 5 -2 2118.08 2170.18 26.14 o
-2 5 -2 7429.93 7476.28 79.22 o
-1 5 -2 2442.29 2390.18 24.17 o
0 5 -2 913.63 897.64 21.39 o
-5 6 -2 21352.87 21507.45 226.83 o
-4 6 -2 1347.75 1319.06 19.94 o
-3 6 -2 13726.42 13827.85 157.83 o
-2 6 -2 735.41 738.65 18.79 o
-1 6 -2 37577.64 39038.53 441.83 o
0 6 -2 1493.02 1580.02 43.36 o
-6 7 -2 12081.73 12189.26 160.60 o
-5 7 -2 13959.57 14267.68 143.99 o
-4 7 -2 17595.53 18045.05 157.58 o
-3 7 -2 10637.57 10778.40 112.76 o
-2 7 -2 1336.90 1332.86 28.27 o
-1 7 -2 1031.85 1077.77 25.68 o
0 7 -2 5239.76 5253.30 56.32 o
-7 8 -2 2106.91 2173.37 42.24 o
-6 8 -2 3484.74 3561.99 55.05 o
-5 8 -2 4111.06 4295.96 64.09 o
-4 8 -2 1390.93 1559.75 74.44 o
-3 8 -2 11755.43 11935.20 143.63 o
-2 8 -2 2260.71 2217.47 36.45 o
-1 8 -2 1851.54 1885.03 33.54 o
0 8 -2 11001.80 11252.18 163.58 o
-8 9 -2 10456.20 10663.55 221.13 o
-7 9 -2 4641.52 4625.13 126.01 o
-6 9 -2 3658.13 3696.38 57.62 o
-5 9 -2 4496.65 4433.25 82.98 o
-4 9 -2 4554.00 4564.37 118.82 o
-3 9 -2 14852.08 15490.61 161.61 o
-2 9 -2 916.14 816.73 30.13 o
-1 9 -2 1504.77 1512.74 35.80 o
0 9 -2 3388.64 3370.05 114.27 o
-9 10 -2 1387.44 1420.87 57.99 o
-8 10 -2 8122.30 8412.26 230.77 o
-7 10 -2 722.74 795.93 43.10 o
-6 10 -2 2355.49 2314.10 72.39 o
-5 10 -2 3381.03 3420.40 73.57 o
-4 10 -2 4234.66 4222.37 79.47 o
-3 10 -2 7355.49 7379.54 92.51 o
-2 10 -2 4580.23 4570.15 105.87 o
-1 10 -2 3769.90 3814.73 85.17 o
0 10 -2 7858.50 8272.54 119.78 o
-8 11 -2 491.47 611.94 51.15 o
-7 11 -2 24364.27 25299.65 476.62 o
-6 11 -2 378.15 343.90 33.50 o
-5 11 -2 5805.88 5923.13 196.37 o
-4 11 -2 4951.72 4988.66 107.16 o
-3 11 -2 3391.84 3418.86 67.29 o
0 1 -1 4964.34 5246.61 90.16 o
-1 2 -1 12084.05 12523.61 120.38 o
0 2 -1 59357.88 62773.23 585.98 o
-2 3 -1 3435.56 3627.14 29.89 o
-1 3 -1 1289.82 1490.04 17.03 o
0 3 -1 17005.28 17434.06 173.48 o
-3 4 -1 1409.99 1412.34 25.67 o
-2 4 -1 686.95 772.84 13.51 o
-1 4 -1 40009.30 40840.92 350.40 o
0 4 -1 18254.47 18603.90 236.62 o
-4 5 -1 46783.87 46644.27 721.64 o
-3 5 -1 6362.39 6380.48 73.54 o
-2 5 -1 13099.35 13293.25 112.79 o
-1 5 -1 1180.79 1252.34 20.06 o
0 5 -1 16700.96 16704.76 143.81 o
-5 6 -1 1168.02 1192.99 20.63 o
-4 6 -1 7309.74 7412.02 88.86 o
-3 6 -1 29666.07 30464.63 278.43 o
-2 6 -1 14683.72 14894.94 121.54 o
-1 6 -1 419.37 462.41 18.35 o
0 6 -1 5285.59 5214.68 75.24 o
-6 7 -1 32054.88 31855.74 500.25 o
-5 7 -1 2132.91 2109.53 31.50 o
-4 7 -1 251.16 275.50 16.24 o
-3 7 -1 22716.24 23358.95 288.42 o
-2 7 -1 7405.22 7422.63 77.86 o
-1 7 -1 12580.96 12845.98 156.85 o
0 7 -1 7206.98 7251.90 102.22 o
-7 8 -1 1947.26 1994.84 47.81 o
-6 8 -1 34.15 58.80 16.61 o
-5 8 -1 326.02 324.34 23.27 o
-4 8 -1 3700.77 3749.35 86.08 o
-3 8 -1 22151.40 22602.15 280.06 o
-2 8 -1 2648.63 2689.29 52.85 o
-1 8 -1 23016.35 24157.19 268.60 o
0 8 -1 1579.63 1689.83 38.82 o
-8 9 -1 920.79 953.99 33.52 o
-7 9 -1 21500.09 22652.84 131.31 o
-6 9 -1 7388.06 7276.97 110.33 o
-5 9 -1 24446.48 25089.48 392.60 o
-4 9 -1 1302.30 1352.05 33.67 o
-3 9 -1 102.43 133.07 21.02 o
-2 9 -1 1762.51 1795.49 45.25 o
-1 9 -1 6524.62 6759.29 85.49 o
0 9 -1 304.68 317.03 34.95 o
-9 10 -1 513.83 513.05 39.09 o
-8 10 -1 4681.20 4812.28 105.99 o
-7 10 -1 570.33 585.33 33.82 o
-6 10 -1 376.87 409.80 32.72 o
-5 10 -1 3601.30 3571.23 65.39 o
-4 10 -1 702.26 670.19 29.80 o
-3 10 -1 134.30 118.98 23.48 o
-2 10 -1 15242.26 15902.16 227.19 o
-1 10 -1 4323.60 4450.13 138.02 o
0 10 -1 10241.48 10596.80 160.70 o
-9 11 -1 11575.50 11900.40 225.35 o
-8 11 -1 2082.56 2092.51 48.51 o
-7 11 -1 476.96 486.02 38.29 o
-6 11 -1 1101.59 1114.60 36.54 o
-5 11 -1 17693.62 18029.27 428.67 o
-4 11 -1 1852.17 1846.02 47.35 o
-3 11 -1 9071.91 8887.72 204.36 o
-2 11 -1 3554.66 3690.15 82.37 o
-1 2 0 102.11 269.59 53.65 o
0 2 0 14916.95 14571.40 402.52 o
-2 3 0 31664.82 30914.17 712.12 o
-1 3 0 1470.48 1614.33 49.98 o
0 3 0 610.63 623.92 17.90 o
-3 4 0 61788.70 60301.85 928.93 o
-2 4 0 113308.78 104769.54 3938.42 o
-1 4 0 16276.71 15961.60 175.79 o
0 4 0 13492.16 13233.76 196.50 o
-4 5 0 261.28 315.79 27.13 o
-3 5 0 248.03 272.81 15.98 o
-2 5 0 10717.17 10288.40 155.28 o
-1 5 0 19622.45 19594.50 281.75 o
0 5 0 152.02 207.30 13.22 o
-5 6 0 1649.92 1620.93 36.70 o
-4 6 0 24.97 34.11 9.82 o
-3 6 0 2032.47 2068.36 27.74 o
-2 6 0 406.01 360.09 26.49 o
-1 6 0 55023.63 53806.84 610.00 o
0 6 0 6212.37 6010.29 64.39 o
-6 7 0 16534.03 16695.38 162.65 o
-5 7 0 33215.84 33070.30 337.63 o
-4 7 0 25228.95 24903.51 337.84 o
-3 7 0 8239.14 8164.04 130.80 o
-2 7 0 5530.46 5492.25 93.52 o
-1 7 0 2014.68 2009.76 43.71 o
0 7 0 3195.41 3064.43 65.26 o
-7 8 0 6382.16 6584.22 159.47 o
-6 8 0 2312.74 2352.09 47.06 o
-5 8 0 19612.56 19650.00 279.90 o
-4 8 0 707.34 731.83 31.96 o
-3 8 0 7393.12 7301.74 79.38 o
-2 8 0 3325.41 3267.85 56.54 o
-1 8 0 28.51 53.18 15.96 o
0 8 0 17939.95 18514.09 144.80 o
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-7 9 0 6558.18 6621.26 140.48 o
-6 9 0 108.52 142.44 25.50 o
-5 9 0 7346.16 7474.41 125.21 o
-4 9 0 86.11 125.48 21.32 o
-3 9 0 34964.30 34390.05 453.64 o
-2 9 0 2192.60 2053.96 79.32 o
-1 9 0 246.72 221.07 26.68 o
0 9 0 18496.16 19287.70 158.83 o
-9 10 0 1138.36 1200.36 59.81 o
-8 10 0 70.37 88.57 28.53 o
-7 10 0 1220.29 1235.47 66.84 o
-6 10 0 5464.63 5459.82 168.63 o
-5 10 0 12.90 40.43 21.85 o
-4 10 0 4031.94 3979.69 136.99 o
-3 10 0 7692.35 7239.40 206.40 o
-2 10 0 322.33 310.84 35.68 o
-1 10 0 5354.17 5454.54 121.80 o
0 10 0 2577.64 2474.52 92.82 o
-9 11 0 3635.42 3564.37 208.79 o
-8 11 0 163.51 215.82 41.72 o
-7 11 0 41396.55 41518.53 1439.81 o
-6 11 0 3032.88 2888.62 67.80 o
-5 11 0 7966.03 8033.69 125.02 o
-4 11 0 1819.69 1628.98 58.75 o
-3 11 0 4972.53 4924.83 154.84 o
-2 11 0 1312.76 1326.88 54.83 o
-7 12 0 46.62 59.70 27.74 o
-6 12 0 80.45 66.10 29.69 o
-5 12 0 39.21 92.98 30.58 o
-1 2 1 12656.92 12706.66 120.62 o
0 2 1 59273.62 57693.00 1163.80 o
-2 3 1 3036.02 3131.18 67.78 o
-1 3 1 1384.69 1482.85 28.50 o
0 3 1 17866.90 17571.06 167.61 o
-3 4 1 1290.04 1321.87 28.86 o
-2 4 1 654.73 648.14 20.83 o
-1 4 1 39786.88 38104.57 351.42 o
0 4 1 17206.70 16779.60 297.72 o
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-3 5 1 6350.85 6225.89 136.89 o
-2 5 1 12347.50 12084.79 143.44 o
-1 5 1 1268.88 1322.89 25.70 o
0 5 1 15446.40 14830.97 164.09 o
-5 6 1 1297.43 1303.55 34.75 o
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-3 6 1 29605.76 29079.50 376.86 o
-2 6 1 15322.04 15101.65 261.95 o
-1 6 1 626.66 633.63 23.00 o
0 6 1 4830.68 4573.08 64.60 o
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0 7 1 6699.73 6486.51 98.58 o
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-5 8 1 260.83 279.45 25.45 o
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-2 8 1 3316.35 3226.45 47.48 o
-1 8 1 21513.67 21339.86 180.53 o
0 8 1 1606.89 1601.21 38.71 o
-8 9 1 1159.66 1153.14 46.95 o
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-6 9 1 6962.70 6829.29 147.93 o
-5 9 1 22356.58 22256.24 249.66 o
-4 9 1 1470.97 1421.79 42.13 o
-3 9 1 127.94 142.09 28.34 o
-2 9 1 1626.13 1456.28 49.62 o
-1 9 1 5958.87 5823.52 95.24 o
0 9 1 319.27 377.78 41.53 o
-9 10 1 431.15 441.52 39.89 o
-8 10 1 4753.71 4827.67 121.25 o
-7 10 1 566.74 532.92 40.51 o
-6 10 1 498.06 487.19 38.10 o
-5 10 1 3798.96 3548.63 69.13 o
-4 10 1 621.99 573.57 37.25 o
-3 10 1 220.62 236.60 28.14 o
-2 10 1 14899.08 14790.85 202.04 o
-1 10 1 4872.51 4933.22 102.94 o
0 10 1 10592.77 10654.67 235.51 o
-9 11 1 10972.69 11349.08 330.57 o
-8 11 1 2339.25 2298.00 80.38 o
-7 11 1 477.59 461.73 47.68 o
-6 11 1 1179.60 1086.53 81.92 o
-5 11 1 18231.65 18016.37 298.06 o
-4 11 1 1816.63 1717.89 68.66 o
-3 11 1 9068.52 8891.78 172.75 o
-2 11 1 3334.40 3228.98 71.49 o
0 1 2 4764.33 5318.84 101.84 o
-1 2 2 17928.10 17494.86 84.60 o
0 2 2 44989.79 43032.87 635.21 o
-2 3 2 31702.17 30359.34 492.90 o
-1 3 2 4829.32 4781.35 94.22 o
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