#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/63/2206349.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_2206349_Fobs
loop_
_publ_author_name
'Tobash, Paul H.'
'Yamasaki, Yuki'
'Bobev, Svilen'
_publ_section_title
;
 Strontium tetragallide
;
_journal_coeditor_code           BR6204
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i174
_journal_page_last               i176
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.4474
_cell_length_b                   4.4474
_cell_length_c                   10.730
_exptl_crystal_F_000             324.00
_reflns_d_resolution_high        0.7705
_[local]_cod_data_source_file    br6204Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' sad in I4/mmm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            242.63
_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'
'-y, x, z'
'y, -x, z'
'-x, y, -z'
'x, -y, -z'
'y, x, -z'
'-y, -x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, z'
'-y, -x, z'
'y, x, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, 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
1 1 0 3599.59 3611.80 33.11 o
0 2 0 58868.73 53376.16 245.29 o
2 2 0 41942.36 39191.69 224.89 o
1 3 0 1769.80 1763.03 32.29 o
3 3 0 1132.48 1105.65 65.39 o
0 4 0 24472.24 23132.66 221.87 o
2 4 0 19454.77 18476.06 158.50 o
4 4 0 10733.03 10932.68 371.37 o
1 5 0 791.97 937.99 48.11 o
0 1 1 382.31 440.21 9.90 o
1 2 1 263.47 279.46 9.77 o
0 3 1 196.60 213.62 14.99 o
2 3 1 138.52 157.71 11.86 o
1 4 1 95.33 101.01 13.01 o
3 4 1 46.37 58.31 16.43 o
0 5 1 46.37 44.73 23.57 o
2 5 1 33.69 13.12 20.82 o
0 0 2 1453.84 1317.91 50.52 o
1 1 2 28510.02 28919.23 102.71 o
0 2 2 935.15 988.95 20.41 o
2 2 2 685.70 728.50 23.91 o
1 3 2 14543.69 14177.06 69.32 o
3 3 2 8903.34 8686.46 96.43 o
0 4 2 357.65 365.88 27.52 o
2 4 2 260.93 272.03 19.59 o
4 4 2 115.32 103.65 81.62 o
1 5 2 5908.39 5755.40 66.83 o
0 1 3 14026.05 14123.93 67.25 o
1 2 3 9584.80 9746.58 42.63 o
0 3 3 7110.14 6871.50 56.48 o
2 3 3 5513.67 5464.46 47.17 o
1 4 3 4400.73 4389.48 51.39 o
3 4 3 2956.85 3058.84 52.42 o
0 5 3 2956.85 2939.78 91.74 o
2 5 3 2467.09 2521.14 75.43 o
0 0 4 3491.24 3477.06 114.70 o
1 1 4 16747.99 17321.61 87.60 o
0 2 4 2371.91 2511.72 32.51 o
2 2 4 1767.80 1844.88 34.83 o
1 3 4 9064.98 8827.93 55.12 o
3 3 4 5357.92 4894.37 80.38 o
0 4 4 1131.63 1136.82 44.93 o
2 4 4 937.55 1020.31 34.54 o
1 5 4 3409.29 3150.54 57.55 o
0 1 5 16342.93 16382.00 98.85 o
1 2 5 11897.64 11765.52 69.42 o
0 3 5 9095.59 9145.10 86.49 o
2 3 5 7176.52 6875.30 66.12 o
1 4 5 5787.31 5517.71 63.14 o
3 4 5 3932.34 3788.65 66.08 o
0 5 5 3932.34 3703.46 94.72 o
2 5 5 3293.56 3459.84 126.38 o
0 0 6 4008.03 3763.30 91.83 o
1 1 6 10014.13 10288.27 101.28 o
0 2 6 2938.37 2983.00 49.58 o
2 2 6 2181.20 2192.83 49.53 o
1 3 6 5930.76 6008.19 56.69 o
3 3 6 3889.86 4088.14 84.97 o
0 4 6 1263.18 1386.26 59.52 o
2 4 6 988.91 1043.29 42.26 o
1 5 6 2689.04 2749.37 88.30 o
0 1 7 128.74 120.55 16.46 o
1 2 7 108.44 116.81 12.81 o
0 3 7 97.32 113.13 21.63 o
2 3 7 88.93 80.01 18.77 o
1 4 7 81.10 88.95 24.06 o
3 4 7 65.51 98.94 43.25 o
0 0 8 32049.87 30500.51 523.41 o
1 1 8 1165.13 1263.60 58.21 o
0 2 8 24713.22 24834.66 232.46 o
2 2 8 19548.70 20211.70 241.30 o
1 3 8 788.47 826.22 31.46 o
3 3 8 565.39 679.12 53.02 o
0 4 8 12897.88 13102.28 257.09 o
2 4 8 10684.40 10803.19 139.13 o
0 1 9 587.27 603.39 47.50 o
1 2 9 432.68 452.27 28.38 o
0 3 9 324.35 350.63 39.08 o
2 3 9 248.42 250.90 28.55 o
1 4 9 194.74 162.56 40.35 o
0 0 10 34.17 36.70 54.69 o
1 1 10 13286.40 12151.05 179.52 o
0 2 10 34.57 26.07 25.79 o
2 2 10 34.22 76.66 36.18 o
1 3 10 8809.24 9683.73 113.57 o
0 4 10 30.90 68.49 76.40 o
0 1 11 1835.95 1697.01 83.70 o
1 2 11 1524.56 1579.92 67.58 o
0 3 11 1278.41 1312.23 84.23 o
2 3 11 1079.98 1277.75 162.51 o
0 0 12 1307.83 1416.08 161.81 o
1 1 12 3013.63 3189.99 125.29 o
0 2 12 1094.70 1081.94 87.44 o
2 2 12 923.10 896.24 157.96 o
0 1 13 4743.18 4194.26 124.79 o