#------------------------------------------------------------------------------
#$Date: 2016-04-02 22:20:45 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180852 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/83/2018326.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_2018326_Fobs
loop_
_publ_author_name
'Pavlyuk, Volodymyr'
'Dmytriv, Grygoriy'
'Tarasiuk, Ivan'
'Chumak, Ihor'
'Ehrenberg, Helmut'
_publ_section_title
;
 Li~12~Cu~12.60~Al~14.37~: a new ternary derivative of the binary Laves
 phases
;
_journal_coeditor_code           KU3057
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i59
_journal_page_last               i62
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   4.9301
_cell_length_b                   4.9301
_cell_length_c                   27.5607
_exptl_crystal_F_000             603.00
_reflns_d_resolution_high        0.8014
_cod_data_source_file            ku3057Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' bp1m in R-3m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            334.65
_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'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -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'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+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'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, 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'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+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'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+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 92.60 184.39 22.06 o
0 3 0 49.64 46.90 16.51 o
-2 4 0 70636.09 68872.71 4122.28 o
-1 5 0 95.38 103.72 19.22 o
-3 6 0 154.02 209.59 48.57 o
-1 1 1 7051.31 9126.20 659.15 o
0 2 1 78810.61 74564.24 754.07 o
-2 3 1 3399.36 3174.86 207.55 o
-4 4 1 25287.57 13051.59 258.61 o
-1 4 1 1923.27 2110.96 198.00 o
-3 5 1 944.11 1117.91 61.33 o
0 5 1 658.47 547.09 130.55 o
-2 6 1 10759.16 12386.51 698.50 o
0 1 2 517.77 516.40 28.04 o
-2 2 2 39325.82 37039.09 2898.77 o
-1 3 2 221.41 299.08 17.29 o
-3 4 2 71.64 86.58 32.99 o
0 4 2 12231.82 7680.58 194.05 o
-5 5 2 53.65 155.30 102.52 o
-2 5 2 36.53 51.85 16.67 o
-4 6 2 4958.82 6151.87 332.28 o
-1 2 3 119.69 185.05 10.75 o
-3 3 3 95.86 125.34 42.70 o
0 3 3 41.32 34.29 15.34 o
-2 4 3 305.83 359.54 20.26 o
-4 5 3 19.99 54.61 18.94 o
-1 5 3 43.01 54.17 19.39 o
-3 6 3 23.17 64.81 39.65 o
-1 1 4 13423.03 13207.09 188.17 o
0 2 4 21954.94 21161.04 689.05 o
-2 3 4 6069.67 6004.56 480.25 o
-4 4 4 7075.50 6742.66 365.89 o
-1 4 4 3670.63 3699.75 563.39 o
-3 5 4 2110.29 2264.08 295.95 o
0 5 4 1209.58 1506.95 76.70 o
-2 6 4 3127.61 3752.27 217.89 o
0 1 5 5473.97 5269.97 251.19 o
-2 2 5 93054.14 70142.79 340.40 o
-1 3 5 2757.94 2963.20 319.46 o
-3 4 5 1870.22 2027.66 181.97 o
0 4 5 29344.91 25930.06 338.56 o
-5 5 5 629.76 488.54 147.69 o
-2 5 5 1065.25 1025.22 174.63 o
0 0 6 111990.33 96943.91 728.19 o
-1 2 6 17761.37 17695.16 390.48 o
-3 3 6 8244.28 7027.91 691.19 o
0 3 6 8941.17 9353.60 404.05 o
-2 4 6 30280.80 27476.34 2994.79 o
-4 5 6 3229.26 3284.50 120.48 o
-1 5 6 2967.32 3702.11 200.10 o
-3 6 6 2185.21 2260.35 532.35 o
-1 1 7 575.72 591.95 17.41 o
0 2 7 65705.86 56282.75 1919.43 o
-2 3 7 452.07 423.30 31.59 o
-4 4 7 21209.56 19749.25 152.49 o
-1 4 7 268.78 290.76 24.16 o
-3 5 7 103.11 109.30 31.60 o
0 5 7 151.92 264.18 52.12 o
0 1 8 507.88 526.89 21.68 o
-2 2 8 6900.17 6785.03 243.54 o
-1 3 8 170.54 148.24 9.61 o
-3 4 8 139.26 156.44 16.34 o
0 4 8 2382.94 2585.42 64.61 o
-5 5 8 16.84 6.98 34.71 o
-2 5 8 95.05 94.94 20.55 o
0 0 9 157.53 125.23 17.65 o
-1 2 9 8400.50 8448.70 180.30 o
-3 3 9 4584.29 4719.56 78.51 o
0 3 9 4340.60 4459.71 60.25 o
-2 4 9 68.81 63.73 19.48 o
-4 5 9 1560.63 1456.79 171.04 o
-1 5 9 1653.30 1787.13 221.66 o
-1 1 10 12035.55 11303.00 317.11 o
0 2 10 26346.96 26014.52 209.13 o
-2 3 10 6415.50 6153.09 273.87 o
-4 4 10 9172.12 9520.68 1007.24 o
-1 4 10 3814.77 4326.13 344.40 o
-3 5 10 2108.36 2337.24 114.88 o
0 5 10 1383.96 1529.00 73.42 o
0 1 11 34102.82 34175.16 811.76 o
-2 2 11 30041.45 28644.07 715.89 o
-1 3 11 17020.94 17511.42 398.41 o
-3 4 11 10478.13 10910.85 185.74 o
0 4 11 11109.32 12307.63 108.47 o
-5 5 11 3310.54 3558.07 592.80 o
-2 5 11 6162.31 6633.52 397.27 o
0 0 12 77374.05 90615.58 867.24 o
-1 2 12 6905.48 6932.00 154.54 o
-3 3 12 3464.53 3124.00 163.12 o
0 3 12 4220.78 4008.63 76.18 o
-2 4 12 23055.21 24273.52 1157.48 o
-4 5 12 1895.78 2054.57 98.51 o
-1 5 12 1568.73 1519.17 53.39 o
-1 1 13 11824.39 11111.36 288.39 o
0 2 13 8558.45 8973.42 215.29 o
-2 3 13 6801.01 7044.28 193.18 o
-4 4 13 3319.67 3319.51 325.55 o
-1 4 13 3778.47 3855.01 41.35 o
-3 5 13 1983.37 2103.19 154.16 o
0 1 14 11.86 30.21 6.05 o
-2 2 14 935.99 885.23 58.36 o
-1 3 14 11.46 18.06 7.96 o
-3 4 14 0.13 13.22 14.48 o
0 4 14 295.55 334.92 17.03 o
-2 5 14 1.31 -16.62 17.00 o
0 0 15 19382.75 26374.01 547.44 o
-1 2 15 172.63 163.53 10.02 o
-3 3 15 82.64 86.71 12.14 o
0 3 15 89.85 82.11 11.93 o
-2 4 15 6414.67 6224.98 290.14 o
-4 5 15 51.53 47.60 18.74 o
-1 5 15 47.95 29.71 21.90 o
-1 1 16 7628.77 7847.44 274.83 o
0 2 16 23176.02 20899.29 1018.27 o
-2 3 16 4612.37 4668.90 152.19 o
-4 4 16 8894.51 8534.05 219.26 o
-1 4 16 2771.34 2577.49 98.85 o
-3 5 16 1509.49 1633.53 135.11 o
0 1 17 3701.80 3931.78 181.35 o
-2 2 17 41419.74 42530.88 1554.15 o
-1 3 17 1950.33 1680.58 66.35 o
-3 4 17 1605.37 1390.75 32.05 o
0 4 17 15514.77 17272.42 993.36 o
-2 5 17 1104.10 1086.10 74.30 o
0 0 18 17870.62 20517.62 619.40 o
-1 2 18 10067.37 10020.32 275.68 o
-3 3 18 5125.27 4827.44 244.95 o
0 3 18 6108.51 7153.21 249.78 o
-2 4 18 6832.43 6733.12 307.13 o
-1 1 19 1384.74 1413.36 189.51 o
0 2 19 4735.16 4402.39 150.85 o
-2 3 19 1023.25 937.93 43.57 o
-4 4 19 1850.56 1798.69 107.00 o
-1 4 19 593.39 591.22 18.96 o
-3 5 19 301.63 354.40 23.99 o
0 1 20 2810.56 2363.82 293.97 o
-2 2 20 4244.96 4748.64 548.27 o
-1 3 20 1503.89 1470.66 73.58 o
-3 4 20 891.29 871.19 37.48 o
0 4 20 1487.56 1209.31 59.67 o
0 0 21 17925.48 27398.78 190.76 o
-1 2 21 150.36 122.80 12.27 o
-3 3 21 71.64 73.64 13.79 o
0 3 21 114.77 130.21 39.24 o
-2 4 21 6672.65 5877.71 439.72 o
-1 1 22 40.43 60.40 18.09 o
0 2 22 30059.68 28897.46 451.15 o
-2 3 22 75.48 90.09 13.50 o
-4 4 22 12274.25 10665.92 437.76 o
-1 4 22 48.85 39.02 12.97 o
0 1 23 2741.02 3144.63 226.50 o
-2 2 23 18018.17 19275.96 1807.44 o
-1 3 23 1371.68 1350.13 36.04 o
-3 4 23 1115.14 1035.70 29.74 o
0 0 24 20480.98 26868.19 286.94 o
-1 2 24 35.64 26.32 12.05 o
-3 3 24 6.61 8.36 22.52 o
0 3 24 63.09 59.65 26.74 o
-2 4 24 7997.79 6816.93 224.91 o
-1 1 25 653.75 712.26 41.91 o
0 2 25 454.51 521.72 56.21 o
-2 3 25 439.03 371.72 27.08 o
-1 4 25 230.37 238.41 40.49 o
0 1 26 653.90 712.60 23.29 o
-2 2 26 340.01 319.33 42.62 o
-1 3 26 384.04 297.43 17.51 o
0 0 27 11537.28 12693.38 172.48 o
-1 2 27 135.82 131.01 13.79 o
-3 3 27 56.17 81.80 27.65 o
0 3 27 116.32 75.13 34.64 o
-1 1 28 1132.23 1227.27 61.59 o
0 2 28 9486.26 5537.33 125.90 o
-2 3 28 895.44 830.21 57.39 o
0 1 29 5.19 -12.90 21.92 o
-2 2 29 12798.91 12400.92 1715.03 o
-1 3 29 3.29 10.57 20.04 o
0 0 30 4561.14 4987.67 117.93 o
-1 2 30 105.91 125.10 16.02 o
-1 1 31 1000.26 1197.94 94.76 o
0 2 31 1386.27 1255.01 73.55 o
0 1 32 373.42 449.50 27.76 o
0 0 33 2039.03 2583.24 99.99 o