#------------------------------------------------------------------------------
#$Date: 2016-04-02 22:20:17 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180851 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/82/2018282.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_2018282_Fobs
loop_
_publ_author_name
'Chai, Ping'
'Corbett, John D.'
_publ_section_title
;
 Two new compounds, \b-ScTe and Y~3~Au~2~, and a reassessment of Y~2~Au
;
_journal_coeditor_code           FN3086
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i53
_journal_page_last               i55
_journal_volume                  67
_journal_year                    2011
_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                   4.0969
_cell_length_b                   4.0969
_cell_length_c                   13.6016
_exptl_crystal_F_000             292.00
_reflns_d_resolution_high        0.8433
_cod_data_source_file            fn3086ScTesup2.hkl
_cod_data_source_block           ScTe
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' betaScTe'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            197.50
_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 0 125.23 117.84 7.74 o
-1 2 0 39006.30 33361.84 214.05 o
0 2 0 137.65 90.79 6.49 o
-1 3 0 140.24 144.41 7.01 o
0 3 0 17682.31 16773.20 108.54 o
-2 4 0 13058.56 13371.07 119.05 o
-1 4 0 115.14 101.79 7.78 o
0 4 0 100.03 195.31 18.57 o
0 1 1 1452.91 1855.09 11.35 o
0 2 1 1169.18 1290.29 13.78 o
-1 3 1 1017.44 1040.48 10.63 o
0 3 1 0.00 13.69 4.65 o
-1 4 1 756.22 749.38 13.19 o
0 4 1 653.18 590.54 20.71 o
0 0 2 39.60 -2.74 2.74 o
0 1 2 15898.34 15456.47 63.14 o
-1 2 2 9.97 0.45 2.16 o
0 2 2 9931.32 9939.20 44.45 o
-1 3 2 7128.21 7366.65 31.51 o
0 3 2 0.32 9.73 3.99 o
-2 4 2 0.02 18.86 5.77 o
-1 4 2 4177.45 4056.43 34.05 o
0 4 2 3327.18 3451.85 54.64 o
0 1 3 12853.65 13355.12 53.05 o
0 2 3 7495.04 7845.36 38.82 o
-1 3 3 5015.30 5307.35 27.14 o
0 3 3 0.00 17.92 4.54 o
-1 4 3 2683.82 2577.37 27.03 o
0 4 3 2074.16 2158.46 39.92 o
0 0 4 12091.62 13504.49 143.86 o
0 1 4 4479.74 4425.15 22.09 o
-1 2 4 8655.52 9069.67 42.58 o
0 2 4 2587.95 2590.38 18.82 o
-1 3 4 1680.79 1603.44 14.32 o
0 3 4 5667.99 5455.74 46.50 o
-2 4 4 4673.30 4551.73 44.45 o
-1 4 4 839.53 952.70 15.75 o
0 4 4 625.38 621.74 19.21 o
0 1 5 8244.38 8737.58 35.54 o
0 2 5 5255.16 5676.26 35.23 o
-1 3 5 3682.50 3963.71 24.91 o
0 3 5 0.00 15.25 4.39 o
-1 4 5 2085.65 2219.64 24.00 o
0 4 5 1644.31 1815.70 32.39 o
0 0 6 235.99 386.62 14.28 o
0 1 6 12661.27 12960.91 50.71 o
-1 2 6 137.38 190.31 6.45 o
0 2 6 8722.35 8846.22 50.46 o
-1 3 6 6415.40 6302.29 34.03 o
0 3 6 67.37 69.63 7.55 o
-2 4 6 52.61 63.21 7.99 o
-1 4 6 3844.44 3788.43 33.20 o
0 1 7 608.42 663.85 8.32 o
0 2 7 615.46 662.30 12.55 o
-1 3 7 581.29 598.66 10.52 o
0 3 7 0.00 26.46 4.94 o
-1 4 7 478.59 540.80 14.19 o
0 0 8 31306.68 30640.52 454.32 o
0 1 8 105.49 102.68 4.49 o
-1 2 8 21133.00 20420.91 87.96 o
0 2 8 107.50 106.27 6.40 o
-1 3 8 99.65 122.43 5.53 o
0 3 8 11423.36 11407.19 77.33 o
-2 4 8 8846.53 9032.54 90.03 o
-1 4 8 77.58 109.60 6.48 o
0 1 9 1565.33 1642.78 17.61 o
0 2 9 1270.32 1151.92 17.80 o
-1 3 9 1045.49 889.00 14.45 o
0 3 9 0.00 33.32 4.99 o
0 0 10 140.45 159.34 17.49 o
0 1 10 5629.88 5550.95 38.63 o
-1 2 10 69.29 74.33 6.47 o
0 2 10 4337.81 4144.53 34.76 o
-1 3 10 3428.16 3490.94 31.38 o
0 3 10 17.86 39.40 7.66 o
0 1 11 5084.31 5005.96 39.47 o
0 2 11 3682.19 3530.00 35.91 o
-1 3 11 2774.54 2744.76 30.20 o
0 3 11 0.00 42.85 5.88 o
0 0 12 5401.85 5651.39 104.75 o
0 1 12 1092.93 1128.45 19.21 o
-1 2 12 4467.39 4130.58 41.21 o
0 2 12 782.15 814.94 18.03 o
-1 3 12 578.27 700.96 14.22 o
0 1 13 2069.54 1989.00 26.82 o
0 2 13 1624.16 1665.98 28.39 o
0 0 14 335.66 375.22 43.75 o
0 1 14 4465.64 4400.19 54.74 o
-1 2 14 248.80 237.46 14.73 o
0 2 14 3526.03 3327.10 51.07 o
0 1 15 296.25 332.15 16.86 o
0 0 16 7871.72 8338.96 266.96 o