#------------------------------------------------------------------------------
#$Date: 2016-04-02 23:53:26 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180928 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/08/2200818.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_2200818_Fobs
loop_
_publ_author_name
'Lee, Eun Kwang'
'Miller, Gordon J.'
'Kang, Sung Kwon'
_publ_section_title
;
 The intermetallic compound BaAuSb
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i17
_journal_page_last               i18
_journal_volume                  58
_journal_year                    2002
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   4.7461
_cell_length_b                   4.7461
_cell_length_c                   9.3075
_exptl_crystal_F_000             372.00
_reflns_d_resolution_high        0.8131
_cod_data_source_file            br6041Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' BaAuSb in P6(3)/mmc'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            288.27
_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'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-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'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, 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 0 356.00 366.11 21.91 o
-1 2 0 83098.30 87270.61 5420.07 o
0 2 0 280.58 337.02 77.85 o
-1 3 0 229.99 260.91 48.96 o
0 3 0 48919.19 49523.79 2430.80 o
-2 4 0 39996.38 42699.85 3519.88 o
-1 4 0 149.62 124.08 33.79 o
0 4 0 123.97 103.18 39.85 o
-2 5 0 105.50 94.90 39.95 o
-1 5 0 24325.76 22780.57 941.69 o
0 5 0 81.46 203.06 188.16 o
0 1 1 2088.70 2024.66 66.92 o
0 2 1 1514.44 1420.24 71.47 o
-1 3 1 1146.43 1197.81 45.35 o
0 3 1 0.00 -19.81 19.81 o
-1 4 1 720.32 679.94 40.68 o
0 4 1 585.59 642.81 69.76 o
-2 5 1 479.78 522.80 62.46 o
-1 5 1 0.00 7.67 14.67 o
0 5 1 323.94 223.07 49.18 o
0 0 2 18461.24 15678.73 230.69 o
0 1 2 40528.05 44608.38 1905.01 o
-1 2 2 12783.77 14109.41 223.29 o
0 2 2 28757.30 29908.30 1050.48 o
-1 3 2 22275.66 22268.65 659.34 o
0 3 2 7870.60 8542.96 364.35 o
-2 4 2 6440.07 6350.42 837.98 o
-1 4 2 14945.49 14496.31 555.79 o
0 4 2 12612.99 12767.50 271.84 o
-2 5 2 10781.08 10353.07 546.97 o
-1 5 2 3935.28 3916.38 115.62 o
0 1 3 1759.78 1678.90 113.93 o
0 2 3 1301.17 1447.78 80.79 o
-1 3 3 1005.23 1247.96 52.33 o
0 3 3 0.00 -41.13 45.50 o
-1 4 3 645.20 667.86 58.64 o
0 4 3 527.12 490.42 93.49 o
-2 5 3 432.88 402.05 74.80 o
-1 5 3 0.00 -7.95 17.05 o
0 0 4 80230.78 77864.01 820.45 o
0 1 4 216.63 175.23 28.47 o
-1 2 4 59905.84 66423.06 2639.66 o
0 2 4 179.10 144.57 38.04 o
-1 3 4 144.16 104.12 29.93 o
0 3 4 38850.60 41531.13 1617.76 o
-2 4 4 32471.75 34614.74 1585.54 o
-1 4 4 96.79 184.20 74.21 o
0 4 4 82.55 70.80 39.33 o
-2 5 4 72.12 65.21 31.13 o
-1 5 4 20522.52 21557.87 419.72 o
0 1 5 1282.51 1221.32 46.41 o
0 2 5 992.35 975.09 69.14 o
-1 3 5 788.87 781.03 50.98 o
0 3 5 0.00 10.71 29.42 o
-1 4 5 521.79 616.66 66.57 o
0 4 5 428.78 445.78 83.14 o
-2 5 5 352.78 288.99 59.69 o
0 0 6 8448.51 7962.33 260.18 o
0 1 6 21262.96 19662.13 455.02 o
-1 2 6 6763.28 6601.62 376.84 o
0 2 6 17239.87 16418.28 489.10 o
-1 3 6 14325.43 13996.98 299.38 o
0 3 6 4632.02 4820.21 151.01 o
-2 4 6 3938.70 4023.65 239.55 o
-1 4 6 10354.57 10374.89 209.45 o
0 4 6 8946.53 8727.82 306.22 o
0 1 7 865.60 818.71 65.30 o
0 2 7 695.88 664.39 74.24 o
-1 3 7 567.05 564.86 51.68 o
0 3 7 0.00 14.46 24.67 o
-1 4 7 383.28 328.26 50.51 o
0 4 7 315.53 382.43 77.08 o
0 0 8 35663.20 39648.04 732.90 o
0 1 8 47.22 83.36 27.35 o
-1 2 8 29869.48 28418.78 884.68 o
0 2 8 39.59 -29.37 29.37 o
-1 3 8 34.26 22.48 20.64 o
0 3 8 21829.13 21100.13 346.07 o
-2 4 8 18945.22 16657.78 1165.64 o
-1 4 8 27.50 56.21 23.50 o
0 1 9 553.82 532.49 57.48 o
0 2 9 455.24 576.58 159.49 o
-1 3 9 375.29 329.62 52.16 o
0 3 9 0.00 -2.42 29.67 o
0 0 10 2882.27 3080.42 229.97 o
0 1 10 9583.53 10179.98 283.13 o
-1 2 10 2490.10 2581.08 122.33 o
0 2 10 8290.79 7837.49 433.28 o
0 1 11 331.42 447.25 61.47 o