#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/48/2204815.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_2204815_Fobs
loop_
_publ_author_name
'Tursina, Anna I.'
'Nesterenko, Sergei N.'
'Murashova, Elena V.'
'Chernyshev, Ilya V.'
'No\"el, Henri'
'Seropegin, Yuri D.'
_publ_section_title
;
 Ce~2~Ru~3~Al~15~, an intermetallic compound of a new structure type
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i145
_journal_page_last               i146
_journal_volume                  60
_journal_year                    2004
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   13.1220
_cell_length_b                   13.1220
_cell_length_c                   9.0964
_exptl_crystal_F_000             1772.00
_reflns_d_resolution_high        0.7576
_[local]_cod_data_source_file    wm6039Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  z1 in P 63/m c m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1042.24
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, -x, -z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x+y, y, -z'
'x, x-y, -z'
'-x, -x+y, -z+1/2'
'-y, x-y, z'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x+y, -x, z'
'-x, -y, -z'
'x, y, -z-1/2'
'y, x, z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x-y, -y, z'
'-x, -x+y, z'
'x, x-y, z-1/2'
'y, -x+y, -z'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'x-y, x, -z'
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 12274.80 12596.17 531.29 o
0 2 0 220.30 982.88 662.65 o
-1 3 0 69425.83 70074.88 2123.07 o
0 3 0 3307.43 3158.20 569.07 o
-2 4 0 34605.25 34297.95 1574.37 o
-1 4 0 11217.99 10968.40 416.22 o
0 4 0 5673.30 6352.21 442.92 o
-2 5 0 41384.17 41239.91 1041.90 o
-1 5 0 3558.86 3599.84 586.15 o
0 5 0 864922.06 804768.00 12755.00 o
-3 6 0 109832.38 106790.90 3411.62 o
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-1 6 0 1943.50 1698.21 469.19 o
0 6 0 4.45 -724.44 1157.13 o
-3 7 0 4563.70 5148.04 372.70 o
-2 7 0 1473.08 914.09 609.08 o
-1 7 0 8293.37 7657.01 406.46 o
0 7 0 14094.26 14323.86 537.22 o
-4 8 0 15.45 139.71 1522.65 o
-3 8 0 4593.37 4667.67 577.85 o
-2 8 0 68632.15 70250.95 1607.56 o
-1 8 0 31293.75 32041.87 834.24 o
0 8 0 23508.99 23514.30 701.35 o
-4 9 0 698.71 -768.40 1112.85 o
-3 9 0 405.89 1430.16 628.33 o
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-1 9 0 11386.17 11851.70 482.59 o
0 9 0 96.49 -1465.77 1561.50 o
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-4 10 0 73.15 -465.81 647.69 o
-3 10 0 73.04 -100.24 681.87 o
-2 10 0 1253.30 964.23 701.90 o
-1 10 0 1908.35 1144.78 559.89 o
0 10 0 396250.63 385117.78 8927.01 o
-5 11 0 362.24 1418.21 702.68 o
-4 11 0 5718.24 5646.07 457.69 o
-3 11 0 105705.52 108267.70 2281.01 o
-2 11 0 3240.96 2871.39 545.52 o
-1 11 0 22.96 -1465.50 1465.50 o
0 11 0 2512.08 3164.97 594.96 o
-6 12 0 9888.95 10539.46 743.29 o
-5 12 0 213.84 -451.61 1183.85 o
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-3 12 0 859.55 2252.56 1058.76 o
-2 12 0 1513.29 2076.02 506.00 o
-1 12 0 4105.37 4002.86 958.94 o
0 12 0 290.18 -1699.30 1699.30 o
-6 13 0 38179.82 38048.71 898.37 o
-5 13 0 6176.51 6071.50 512.67 o
-4 13 0 2089.32 538.98 1331.73 o
-3 13 0 6386.90 6461.84 681.54 o
-2 13 0 51868.67 52015.59 1226.29 o
-1 13 0 4955.44 4963.12 664.50 o
0 13 0 4517.40 4998.97 1995.66 o
-7 14 0 250.03 -397.70 1908.97 o
-6 14 0 795.99 467.63 667.10 o
-5 14 0 7048.86 7618.53 572.42 o
-4 14 0 12.38 -1582.04 1582.04 o
-3 14 0 6630.91 5408.77 1759.06 o
-2 14 0 157.17 -869.56 869.56 o
-1 14 0 26.08 218.48 825.04 o
0 14 0 3211.93 2094.59 1477.53 o
-7 15 0 1436.33 -1632.27 1632.27 o
-6 15 0 120.31 -257.03 888.65 o
-5 15 0 190253.17 193907.66 4169.41 o
-4 15 0 12.30 675.01 843.72 o
-3 15 0 1610.33 1376.47 1288.55 o
-2 15 0 2657.98 1922.03 1400.44 o
-1 15 0 2.35 -1572.25 1572.25 o
0 15 0 144482.42 145193.97 7101.63 o
-8 16 0 66085.70 66480.14 2376.61 o
-7 16 0 4030.86 4493.30 587.52 o
-6 16 0 692.51 -132.06 1388.87 o
-5 16 0 402.23 1508.51 941.82 o
-4 16 0 3074.95 3258.41 785.92 o
-3 16 0 68918.66 70139.79 1925.65 o
-8 17 0 62.72 257.02 1511.21 o
-7 17 0 1034.41 1471.08 1029.31 o
-6 17 0 509.13 194.26 767.87 o
-1 2 1 21870.66 21955.18 1819.38 o
-1 3 1 10170.08 11030.38 414.67 o
-2 4 1 14349.90 13154.05 607.52 o
-1 4 1 32083.72 32645.92 801.33 o
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-1 5 1 431.09 394.59 941.61 o
-3 6 1 56.18 893.93 1423.66 o
-2 6 1 13850.04 13900.32 587.20 o
-1 6 1 691.06 820.87 627.56 o
-3 7 1 924.63 1541.15 1125.87 o
-2 7 1 72.29 99.97 565.11 o
-1 7 1 32987.32 33037.50 837.40 o
-4 8 1 27086.46 26152.49 848.93 o
-3 8 1 252.45 -219.37 1089.02 o
-2 8 1 6714.78 6768.39 406.39 o
-1 8 1 5953.71 5793.30 1069.65 o
-4 9 1 79.28 -417.54 602.75 o
-3 9 1 25082.12 24578.91 950.68 o
-2 9 1 4157.37 4153.19 390.58 o
-1 9 1 1464.66 1708.09 774.76 o
-5 10 1 19.09 474.38 1400.23 o
-4 10 1 2453.41 2268.57 460.41 o
-3 10 1 61.55 -1380.49 1380.49 o
-2 10 1 71.16 425.07 1155.74 o
-1 10 1 582.17 712.46 682.99 o
-5 11 1 1995.71 1539.00 795.85 o
-4 11 1 8237.45 7855.42 474.99 o
-3 11 1 5492.01 5122.64 1169.03 o
-2 11 1 18411.07 18752.17 576.60 o
-1 11 1 111.89 903.48 640.40 o
-6 12 1 1903.74 1117.29 817.84 o
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-1 12 1 19541.70 20133.72 643.34 o
-6 13 1 1486.32 277.18 648.68 o
-5 13 1 25.74 367.94 780.09 o
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-2 14 1 1115.32 2040.25 1088.51 o
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-4 15 1 143.31 -348.39 1472.18 o
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-2 15 1 150.58 -270.39 729.27 o
-1 15 1 613.79 -1793.49 1793.49 o
-8 16 1 511.28 -1728.90 2260.92 o
-7 16 1 7650.38 7609.74 1437.08 o
-6 16 1 72.20 68.21 921.92 o
-5 16 1 154.03 -1295.36 1569.86 o
-4 16 1 9165.26 8649.40 1434.54 o
-3 16 1 3074.40 1868.41 1665.91 o
-8 17 1 803.41 835.27 756.26 o
-7 17 1 12.23 84.32 1033.37 o
-6 17 1 12535.30 12807.00 2656.79 o
0 0 2 6520.07 7569.04 791.58 o
0 1 2 5210.20 5293.56 457.41 o
-1 2 2 1864.49 -1124.50 1677.30 o
0 2 2 119447.98 120277.47 2512.04 o
-1 3 2 7733.07 8268.60 408.62 o
0 3 2 176079.67 178862.80 3190.59 o
-2 4 2 7.03 -1418.64 1418.64 o
-1 4 2 92.91 514.81 1150.69 o
0 4 2 5252.04 4828.54 506.69 o
-2 5 2 271831.44 267944.56 5759.19 o
-1 5 2 406.36 529.21 909.69 o
0 5 2 106669.43 106554.53 2824.84 o
-3 6 2 15434.97 16072.76 646.62 o
-2 6 2 391.39 -320.40 625.72 o
-1 6 2 14658.38 13865.74 449.75 o
0 6 2 9122.92 8975.67 480.66 o
-3 7 2 4533.12 5206.80 383.60 o
-2 7 2 86273.58 85739.87 2326.79 o
-1 7 2 761.03 303.21 643.67 o
0 7 2 112677.02 113332.60 3387.90 o
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-2 10 2 77788.25 80705.64 2206.40 o
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0 10 2 18466.49 18831.81 1210.01 o
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-3 11 2 8970.01 9471.17 532.47 o
-2 11 2 1713.43 526.82 1259.35 o
-1 11 2 3924.98 2453.57 621.22 o
0 11 2 17501.40 16286.03 667.05 o
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-1 12 2 37.77 -349.49 502.33 o
0 12 2 21078.72 20370.29 849.99 o
-6 13 2 1509.59 722.77 782.45 o
-5 13 2 85149.31 81346.81 2059.73 o
-4 13 2 3.26 276.21 718.92 o
-3 13 2 82825.59 80295.31 2141.14 o
-2 13 2 9221.03 8745.73 607.50 o
-1 13 2 2910.13 2473.25 729.25 o
0 13 2 67732.97 68951.02 3129.85 o
-7 14 2 164.78 235.34 2186.01 o
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-1 14 2 2428.70 1931.78 1679.37 o
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-1 3 3 41446.60 42456.73 1130.51 o
-2 4 3 62560.36 66876.63 1959.55 o
-1 4 3 49791.00 48976.96 1206.10 o
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-4 11 3 18391.29 17213.00 609.92 o
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-2 11 3 26742.22 26734.62 673.20 o
-1 11 3 981.16 608.24 1213.90 o
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-1 13 3 3218.54 3727.54 627.65 o
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-6 14 3 15275.30 14439.42 690.78 o
-5 14 3 333.81 498.27 872.66 o
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-6 15 3 5413.08 5791.30 603.14 o
-5 15 3 7.39 812.58 858.55 o
-4 15 3 3026.55 3223.74 650.88 o
-3 15 3 1590.98 1291.29 1064.21 o
-2 15 3 189.42 -17.96 918.39 o
-8 16 3 10.11 -1716.17 3351.04 o
-7 16 3 9646.93 9884.57 797.25 o
-6 16 3 649.76 -73.43 652.32 o
-5 16 3 19.68 -1802.70 1802.70 o
-4 16 3 11638.06 11701.59 733.11 o
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0 1 4 122.45 156.02 519.97 o
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0 2 4 5563.72 5649.04 1403.21 o
-1 3 4 50595.79 50452.36 1309.74 o
0 3 4 6198.22 5894.24 492.90 o
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