#------------------------------------------------------------------------------
#$Date: 2016-04-03 01:23:09 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181035 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/15/2211528.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_2211528_Fobs
loop_
_publ_author_name
'Weil, Matthias'
_publ_section_title
;
 Mn~3~TeO~6~
;
_journal_coeditor_code           MG2008
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i244
_journal_page_last               i245
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   8.8673
_cell_length_b                   8.8673
_cell_length_c                   10.6729
_exptl_crystal_F_000             1050.00
_reflns_d_resolution_high        0.6715
_cod_data_source_file            mg2008Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Mn3TeO6 in R-3; Smartmessung'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            489.36
_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+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
-1 2 0 31588.29 33749.59 390.41 o
0 3 0 58239.37 56225.30 653.81 o
-2 4 0 9939.13 9464.21 119.26 o
-4 5 0 239470.03 214317.63 3711.79 o
-1 5 0 25351.90 25397.37 287.55 o
-3 6 0 7588.72 7545.47 120.59 o
0 6 0 21469.75 21686.77 266.88 o
-5 7 0 16674.02 15906.53 202.03 o
-2 7 0 41318.86 39827.04 805.88 o
-7 8 0 80748.04 80483.02 1094.86 o
-4 8 0 43618.79 43009.87 546.15 o
-1 8 0 4095.75 4020.99 76.22 o
-6 9 0 6409.62 6230.06 115.01 o
-3 9 0 38414.88 38290.11 540.93 o
0 9 0 8048.90 8248.55 164.49 o
-8 10 0 18773.63 18909.94 291.55 o
-5 10 0 7697.97 7424.68 124.34 o
-2 10 0 9769.41 9364.12 182.47 o
-10 11 0 10419.06 10700.22 211.58 o
-7 11 0 7422.11 7306.06 138.07 o
-4 11 0 11723.76 11507.16 215.66 o
-1 11 0 10946.21 11212.00 219.08 o
-9 12 0 7398.44 7590.08 166.41 o
-6 12 0 40982.78 40264.04 582.86 o
-3 12 0 40417.89 41070.16 659.29 o
-8 13 0 12333.86 12720.62 308.20 o
-5 13 0 3386.89 3467.23 115.78 o
-1 1 1 3.29 62.12 12.28 o
-3 2 1 90628.80 88433.52 1521.55 o
0 2 1 9084.30 9940.30 113.59 o
-5 3 1 39323.81 39262.51 466.37 o
-2 3 1 21473.97 23209.32 274.28 o
1 3 1 1250.25 1316.68 35.15 o
-7 4 1 1948.38 1962.49 41.89 o
-4 4 1 3103.22 3088.39 45.33 o
-1 4 1 1362.34 1339.14 28.92 o
2 4 1 13549.18 13719.40 173.85 o
-9 5 1 64.96 56.78 18.59 o
-6 5 1 9580.68 9555.52 119.24 o
-3 5 1 7018.26 7189.12 95.84 o
0 5 1 4411.70 4328.07 66.05 o
3 5 1 5620.35 5257.85 100.28 o
-11 6 1 5114.20 5200.16 108.61 o
-8 6 1 423.01 467.11 28.15 o
-5 6 1 270.66 275.76 18.15 o
-2 6 1 26729.60 27003.10 325.49 o
1 6 1 31.92 52.48 19.02 o
4 6 1 10405.64 10014.91 156.68 o
-13 7 1 1710.76 1862.43 95.86 o
-10 7 1 3122.47 3051.61 84.25 o
-7 7 1 6555.81 6529.58 114.11 o
-4 7 1 11835.04 11774.84 167.28 o
-1 7 1 14091.88 13942.45 180.46 o
2 7 1 1454.58 1483.24 50.52 o
5 7 1 893.52 873.62 68.45 o
-12 8 1 111.43 136.28 32.87 o
-9 8 1 9732.29 9833.41 179.74 o
-6 8 1 4519.75 4428.69 80.32 o
-3 8 1 2238.89 2174.74 51.07 o
0 8 1 311.77 318.01 28.77 o
3 8 1 11969.28 12020.74 226.75 o
-11 9 1 1162.59 1327.88 61.93 o
-8 9 1 424.83 394.81 31.64 o
-5 9 1 10234.24 9858.36 151.02 o
-2 9 1 13358.10 13485.12 214.51 o
1 9 1 1324.55 1301.91 98.71 o
-10 10 1 12392.79 12832.91 240.10 o
-7 10 1 926.77 921.11 48.02 o
-4 10 1 5425.39 5186.87 123.37 o
-1 10 1 353.21 411.34 39.31 o
2 10 1 68.33 100.02 33.17 o
-9 11 1 876.95 920.31 46.76 o
-6 11 1 805.57 799.94 39.02 o
-3 11 1 789.55 825.74 61.05 o
0 11 1 805.16 874.22 63.46 o
-8 12 1 1117.13 1144.70 75.80 o
-5 12 1 119.69 119.86 31.21 o
-2 12 1 145.58 138.49 35.78 o
-7 13 1 726.98 692.94 57.21 o
0 1 2 41015.05 45618.32 561.32 o
-2 2 2 127622.07 122764.52 1473.69 o
1 2 2 83066.84 84910.29 989.61 o
-4 3 2 135679.09 130121.11 2721.71 o
-1 3 2 117519.37 114665.92 2018.65 o
2 3 2 64458.68 63999.46 704.45 o
-6 4 2 76018.69 75004.97 825.87 o
-3 4 2 234.03 324.36 13.03 o
0 4 2 856.46 916.56 21.93 o
3 4 2 20261.14 19363.95 444.33 o
-8 5 2 6265.62 6045.16 97.60 o
-5 5 2 20971.51 21673.73 249.94 o
-2 5 2 23040.56 22791.90 274.22 o
1 5 2 51772.59 51806.36 576.80 o
4 5 2 56983.23 56217.97 721.36 o
-10 6 2 17762.96 17889.08 336.37 o
-7 6 2 23509.19 23785.46 340.57 o
-4 6 2 86228.97 83271.56 1119.65 o
-1 6 2 105166.53 103374.55 1198.07 o
2 6 2 17241.72 17046.83 252.73 o
5 6 2 15282.71 15188.12 225.63 o
-12 7 2 17943.80 17948.32 315.72 o
-9 7 2 59524.84 59359.73 817.13 o
-6 7 2 41430.47 39785.91 648.29 o
-3 7 2 22554.05 20795.55 628.18 o
0 7 2 39805.68 39543.79 725.04 o
3 7 2 38807.15 38691.50 551.06 o
-11 8 2 7143.50 6942.14 150.29 o
-8 8 2 24122.41 24067.21 352.39 o
-5 8 2 53200.44 51962.33 666.28 o
-2 8 2 14492.15 14288.32 220.69 o
1 8 2 64.75 114.09 26.74 o
4 8 2 7951.28 8157.05 172.82 o
-10 9 2 26487.07 26961.72 443.00 o
-7 9 2 8.86 32.71 21.80 o
-4 9 2 10267.20 9846.18 151.58 o
-1 9 2 7907.36 7740.04 139.53 o
2 9 2 19380.87 20011.99 346.95 o
-12 10 2 24.67 55.68 39.15 o
-9 10 2 15819.50 15829.43 252.17 o
-6 10 2 8647.05 8247.58 135.72 o
-3 10 2 37268.82 37707.56 540.51 o
0 10 2 38825.67 39722.21 634.27 o
-11 11 2 13146.01 13499.04 257.82 o
-8 11 2 36994.71 37101.75 537.34 o
-5 11 2 32696.35 32309.20 472.93 o
-2 11 2 1060.16 1015.74 54.89 o
-10 12 2 7559.39 7814.46 172.50 o
-7 12 2 1041.42 1108.28 50.79 o
-4 12 2 14148.96 13879.85 258.02 o
-6 13 2 6618.83 7004.06 207.77 o
0 0 3 74281.99 78935.04 2408.11 o
1 1 3 49286.33 51976.98 569.99 o
-1 2 3 8131.15 8732.11 110.95 o
2 2 3 3123.60 3222.99 55.14 o
-3 3 3 434.19 423.12 14.45 o
0 3 3 7049.80 7174.42 88.76 o
3 3 3 1.97 8.55 11.49 o
-5 4 3 2169.80 2159.63 41.07 o
-2 4 3 718.12 728.47 21.76 o
1 4 3 13112.31 13301.04 168.11 o
4 4 3 1651.87 1540.03 48.86 o
-7 5 3 246.56 232.23 18.96 o
-4 5 3 18530.40 18976.14 235.60 o
-1 5 3 9444.89 9526.56 116.82 o
2 5 3 31187.75 30879.55 373.62 o
5 5 3 0.08 15.55 18.52 o
-9 6 3 793.28 742.61 35.88 o
-6 6 3 30249.61 30348.92 396.39 o
-3 6 3 12707.02 12760.93 177.56 o
0 6 3 5161.77 4904.78 102.55 o
3 6 3 1762.03 1691.39 44.03 o
6 6 3 1941.08 1825.04 81.64 o
-11 7 3 11826.21 12207.36 252.59 o
-8 7 3 76.18 90.29 22.30 o
-5 7 3 4921.13 4817.41 86.31 o
-2 7 3 3608.85 3488.36 66.52 o
1 7 3 7783.85 7605.62 133.84 o
4 7 3 449.59 443.24 59.79 o
-10 8 3 876.65 866.18 42.59 o
-7 8 3 7624.57 7186.48 126.88 o
-4 8 3 2284.75 2223.84 52.96 o
-1 8 3 7753.60 7764.80 162.27 o
2 8 3 563.14 544.34 41.75 o
-12 9 3 3439.15 3813.66 150.29 o
-9 9 3 727.61 700.37 39.57 o
-6 9 3 8117.70 7849.89 127.68 o
-3 9 3 841.72 796.27 34.63 o
0 9 3 0.21 6.78 22.55 o
3 9 3 6409.02 6492.23 170.51 o
-11 10 3 1128.48 1131.26 65.90 o
-8 10 3 1746.74 1630.71 55.53 o
-5 10 3 4261.77 4084.24 83.38 o
-2 10 3 4012.56 3897.54 90.41 o
1 10 3 865.68 956.79 63.32 o
-10 11 3 4851.07 4944.61 110.39 o
-7 11 3 6.83 20.12 24.28 o
-4 11 3 1952.32 2010.51 64.79 o
-1 11 3 1820.73 1955.69 84.17 o
-9 12 3 989.60 963.48 56.67 o
-6 12 3 4393.18 4176.18 99.32 o
-3 12 3 3765.50 3722.95 119.26 o
-1 1 4 53869.56 54976.46 689.58 o
-3 2 4 200479.94 187032.42 3158.80 o
0 2 4 5877.69 6259.93 115.98 o
-5 3 4 565.51 533.90 24.35 o
-2 3 4 8412.19 8588.91 111.22 o
1 3 4 136228.61 132820.95 1546.80 o
-7 4 4 35092.24 35813.45 461.48 o
-4 4 4 107222.34 107218.84 1173.13 o
-1 4 4 39432.80 41016.14 487.97 o
2 4 4 33217.37 33939.61 383.97 o
-9 5 4 28706.08 29446.83 423.38 o
-6 5 4 27282.52 27423.56 531.77 o
-3 5 4 63478.23 63405.37 749.70 o
0 5 4 11234.25 11596.89 141.67 o
3 5 4 27895.77 28423.28 349.80 o
-11 6 4 14914.10 15019.89 298.16 o
-8 6 4 30042.95 30407.94 471.99 o
-5 6 4 3008.35 2801.18 84.24 o
-2 6 4 80924.92 79405.50 997.57 o
1 6 4 8021.00 8248.87 138.44 o
4 6 4 1084.82 1078.77 64.27 o
-10 7 4 10929.00 10860.63 198.41 o
-7 7 4 37629.66 37688.89 528.55 o
-4 7 4 2642.14 2556.69 55.53 o
-1 7 4 842.73 774.47 43.13 o
2 7 4 47583.82 48010.73 738.63 o
5 7 4 26388.42 26547.77 1403.00 o
-12 8 4 4519.77 4827.96 136.46 o
-9 8 4 2084.92 2039.91 59.95 o
-6 8 4 10335.51 9835.68 161.58 o
-3 8 4 95602.11 92998.48 1172.38 o
0 8 4 32573.25 33667.81 531.55 o
3 8 4 27034.50 26964.42 504.97 o
-11 9 4 23930.81 24384.55 457.67 o
-8 9 4 50312.50 50004.70 700.57 o
-5 9 4 37429.03 36495.36 482.14 o
-2 9 4 32478.86 33001.27 475.90 o
1 9 4 3693.47 3606.73 113.82 o
-10 10 4 26591.23 26467.02 433.99 o
-7 10 4 14585.81 14393.43 231.07 o
-4 10 4 44.12 103.73 24.90 o
-1 10 4 11811.91 11911.28 224.36 o
-9 11 4 615.69 693.49 42.40 o
-6 11 4 21560.31 21402.70 305.52 o
-3 11 4 7878.73 7679.82 169.17 o
-8 12 4 5690.09 5600.69 120.42 o
-5 12 4 3070.68 3041.41 92.45 o
0 1 5 11705.18 12472.23 154.41 o
-2 2 5 20553.43 21714.36 261.16 o
1 2 5 12654.32 13026.11 152.73 o
-4 3 5 1772.36 1766.11 33.65 o
-1 3 5 192.26 189.80 11.31 o
2 3 5 3184.69 3180.16 50.27 o
-6 4 5 85.24 96.06 21.01 o
-3 4 5 36627.35 37679.93 450.89 o
0 4 5 35133.50 36328.52 407.93 o
3 4 5 7697.50 7461.65 115.87 o
-8 5 5 28740.14 29079.82 417.13 o
-5 5 5 571.20 537.49 23.24 o
-2 5 5 26227.13 26433.49 323.69 o
1 5 5 1190.40 1183.13 37.38 o
4 5 5 36.39 86.70 30.40 o
-10 6 5 3569.67 3568.45 90.15 o
-7 6 5 11242.15 10952.47 190.70 o
-4 6 5 23.21 32.85 16.67 o
-1 6 5 1931.97 1890.79 46.38 o
2 6 5 117.15 117.68 26.75 o
5 6 5 861.45 841.00 64.81 o
-12 7 5 1165.58 1394.82 81.09 o
-9 7 5 37.04 46.84 24.30 o
-6 7 5 1096.78 1073.79 37.14 o
-3 7 5 1712.72 1508.92 42.59 o
0 7 5 2.24 -9.19 23.24 o
3 7 5 503.75 506.85 57.65 o
-11 8 5 278.09 311.23 38.02 o
-8 8 5 1092.33 1045.37 47.23 o
-5 8 5 1348.86 1286.06 41.84 o
-2 8 5 1105.17 1057.22 42.49 o
1 8 5 10921.46 10678.92 201.04 o
4 8 5 592.24 624.13 68.22 o
-10 9 5 481.88 474.65 40.95 o
-7 9 5 8306.57 8036.30 143.20 o
-4 9 5 2883.58 2785.14 90.91 o
-1 9 5 7835.43 7909.04 160.94 o
2 9 5 2319.13 2307.12 92.50 o
-9 10 5 739.97 726.54 46.52 o
-6 10 5 8688.38 8334.58 139.12 o
-3 10 5 404.82 377.74 39.71 o
0 10 5 20.04 83.64 29.49 o
-8 11 5 5.95 -4.73 36.32 o
-5 11 5 7.45 51.32 32.85 o
-2 11 5 5386.87 5501.09 133.22 o
-7 12 5 6156.51 6273.97 179.76 o
-4 12 5 302.76 325.97 46.69 o
0 0 6 3560.81 3506.81 83.11 o
1 1 6 513.94 562.95 39.33 o
-1 2 6 161770.97 157902.55 2498.21 o
2 2 6 22773.26 23544.17 287.51 o
-3 3 6 15864.85 16259.85 204.01 o
0 3 6 90213.91 90881.98 1059.71 o
3 3 6 69648.06 67771.14 1051.17 o
-5 4 6 61380.73 61365.02 1097.38 o
-2 4 6 92223.22 91757.00 1075.90 o
1 4 6 8214.83 8442.84 161.36 o
4 4 6 24580.12 24605.34 359.11 o
-7 5 6 30630.14 31836.62 452.77 o
-4 5 6 13958.12 13843.79 179.56 o
-1 5 6 12547.47 12313.35 175.29 o
2 5 6 32.11 99.53 21.33 o
5 5 6 21597.96 22219.10 485.85 o
-9 6 6 14985.30 15051.55 258.39 o
-6 6 6 15.02 46.38 19.73 o
-3 6 6 10720.53 10563.11 168.21 o
0 6 6 70796.54 72460.24 1083.50 o
3 6 6 36409.68 36639.34 649.28 o
6 6 6 6743.29 7321.78 366.48 o
-11 7 6 8.28 98.62 29.19 o
-8 7 6 35293.63 35476.35 551.33 o
-5 7 6 75380.12 74477.95 943.51 o
-2 7 6 20972.03 21100.25 313.30 o
1 7 6 15475.28 15661.53 270.47 o
4 7 6 10769.71 10534.47 273.30 o
-10 8 6 26600.20 27133.71 441.07 o
-7 8 6 11492.88 11366.58 186.24 o
-4 8 6 17350.81 17228.49 290.47 o
-1 8 6 14691.81 14941.25 260.80 o
2 8 6 4423.50 4588.94 115.39 o
-9 9 6 7860.06 7525.52 153.69 o
-6 9 6 11401.88 11182.70 205.88 o
-3 9 6 11925.34 11744.08 196.22 o
0 9 6 28736.88 29662.08 484.15 o
-11 10 6 6128.07 6034.79 213.61 o
-8 10 6 25204.08 25229.72 464.81 o
-5 10 6 8942.25 8839.48 159.92 o
-2 10 6 5339.54 5427.91 129.35 o
1 10 6 20945.88 21673.13 836.25 o
-10 11 6 815.59 887.47 126.94 o
-7 11 6 19338.87 19336.89 427.44 o
-4 11 6 31153.18 31403.71 513.61 o
-1 11 6 18315.34 20060.21 552.52 o
-6 12 6 7288.73 7027.02 256.10 o
-1 1 7 4443.97 4551.27 72.00 o
-3 2 7 7035.88 6996.48 97.77 o
0 2 7 7401.18 7509.04 103.33 o
-5 3 7 7218.74 7284.06 113.12 o
-2 3 7 1432.16 1443.11 55.77 o
1 3 7 26919.47 27482.36 335.14 o
-7 4 7 4853.72 4760.98 101.86 o
-4 4 7 25889.77 26314.96 376.19 o
-1 4 7 374.19 366.68 23.39 o
2 4 7 1348.88 1305.53 39.91 o
-9 5 7 2072.06 2031.53 74.87 o
-6 5 7 3371.88 3366.82 67.82 o
-3 5 7 574.88 560.70 29.31 o
0 5 7 300.67 349.19 23.96 o
3 5 7 3190.83 3142.34 82.81 o
-11 6 7 799.23 887.70 93.53 o
-8 6 7 1533.62 1534.22 55.89 o
-5 6 7 2259.24 2208.63 64.33 o
-2 6 7 2867.92 2812.97 66.05 o
1 6 7 1171.63 1115.02 50.41 o
4 6 7 3198.62 3010.91 99.06 o
-10 7 7 2189.57 2202.24 73.45 o
-7 7 7 612.39 649.88 51.02 o
-4 7 7 2752.34 2774.75 75.66 o
-1 7 7 3120.72 3014.26 84.96 o
2 7 7 9388.75 9381.16 207.50 o
-9 8 7 2875.78 2800.41 93.17 o
-6 8 7 435.82 427.73 36.61 o
-3 8 7 26854.35 26880.71 395.06 o
0 8 7 1940.97 1956.60 69.92 o
3 8 7 1365.73 1401.44 138.14 o
-11 9 7 7703.81 8277.60 450.48 o
-8 9 7 10596.10 10692.33 226.35 o
-5 9 7 431.07 508.14 39.99 o
-2 9 7 1295.59 1266.10 58.31 o
1 9 7 496.50 529.10 45.83 o
-10 10 7 1441.75 1526.30 89.02 o
-7 10 7 568.11 486.31 47.49 o
-4 10 7 2365.29 2370.42 77.47 o
-1 10 7 753.46 765.44 60.02 o
-6 11 7 231.53 295.30 38.28 o
-3 11 7 208.40 293.90 43.74 o
0 1 8 30734.90 30579.49 428.15 o
-2 2 8 60769.63 62723.68 952.20 o
1 2 8 52275.63 53365.88 631.94 o
-4 3 8 7819.70 7670.66 141.82 o
-1 3 8 6364.07 6136.78 134.49 o
2 3 8 5613.72 5804.33 105.89 o
-6 4 8 5626.62 5786.30 106.48 o
-3 4 8 14809.96 14053.57 302.01 o
0 4 8 19673.56 19842.23 270.73 o
3 4 8 64087.79 65104.64 993.57 o
-8 5 8 11644.78 11754.20 209.83 o
-5 5 8 39261.95 39756.90 563.55 o
-2 5 8 110805.42 107850.55 1539.99 o
1 5 8 39599.82 40465.45 573.44 o
4 5 8 1314.11 1153.22 65.98 o
-10 6 8 40400.48 42329.43 749.87 o
-7 6 8 60548.47 61126.82 931.50 o
-4 6 8 9771.54 9701.41 177.58 o
-1 6 8 8272.25 8229.45 156.61 o
2 6 8 21420.59 20965.99 393.09 o
5 6 8 3956.36 4190.97 179.51 o
-9 7 8 1078.18 1130.26 60.88 o
-6 7 8 25548.47 25643.83 414.92 o
-3 7 8 6986.50 6913.09 140.04 o
0 7 8 8661.82 8842.92 211.40 o
3 7 8 3651.73 3767.12 115.26 o
-11 8 8 14896.74 15381.75 611.41 o
-8 8 8 2116.77 2074.18 80.75 o
-5 8 8 10805.43 10761.23 200.26 o
-2 8 8 9736.28 9672.06 185.38 o
1 8 8 6978.71 6988.22 151.34 o
-10 9 8 6396.30 6563.99 165.08 o
-7 9 8 11597.48 11010.98 219.19 o
-4 9 8 8587.73 8613.74 172.23 o
-1 9 8 55030.06 56882.53 879.92 o
-9 10 8 18306.04 18630.54 365.96 o
-6 10 8 54928.82 56303.45 875.28 o
-3 10 8 10129.63 10274.61 228.08 o
-5 11 8 4671.79 4553.36 143.33 o
0 0 9 37418.04 37852.48 914.77 o
1 1 9 410.34 422.58 30.48 o
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