#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2210090.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_2210090_Fobs
loop_
_publ_author_name
'Luo, Shu-Ming'
'Wang, Cheng-Xin'
'Liu, Xiao-Xuan'
'Wei, Zan-Bin'
'Mi, Jin-Xiao'
_publ_section_title
;
 Diammonium sodium hexafluoroaluminate, (NH~4~)~2~NaAlF~6~
;
_journal_coeditor_code           BI2037
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i179
_journal_page_last               i181
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   8.3450
_cell_length_b                   8.3450
_cell_length_c                   8.3450
_exptl_crystal_F_000             400.00
_reflns_d_resolution_high        0.7618
_[local]_cod_data_source_file    bi2037Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' lsm in Fm-3m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            206.49
_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'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y, x+1/2, -z+1/2'
'-y, -x+1/2, -z+1/2'
'y, -x+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'x, z+1/2, -y+1/2'
'-x, z+1/2, y+1/2'
'-x, -z+1/2, -y+1/2'
'x, -z+1/2, y+1/2'
'z, y+1/2, -x+1/2'
'z, -y+1/2, x+1/2'
'-z, y+1/2, x+1/2'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, x, -z+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, -x, z+1/2'
'-y+1/2, x, z+1/2'
'x+1/2, z, -y+1/2'
'-x+1/2, z, y+1/2'
'-x+1/2, -z, -y+1/2'
'x+1/2, -z, y+1/2'
'z+1/2, y, -x+1/2'
'z+1/2, -y, x+1/2'
'-z+1/2, y, x+1/2'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, z'
'x+1/2, z+1/2, -y'
'-x+1/2, z+1/2, y'
'-x+1/2, -z+1/2, -y'
'x+1/2, -z+1/2, y'
'z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, x'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'-y, z+1/2, x+1/2'
'y, z+1/2, -x+1/2'
'-y, -x+1/2, z+1/2'
'y, x+1/2, z+1/2'
'-y, x+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'-x, -z+1/2, y+1/2'
'x, -z+1/2, -y+1/2'
'x, z+1/2, y+1/2'
'-x, z+1/2, -y+1/2'
'-z, -y+1/2, x+1/2'
'-z, y+1/2, -x+1/2'
'z, -y+1/2, -x+1/2'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x, y+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, z, -x+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, x, -z+1/2'
'y+1/2, -x, -z+1/2'
'-x+1/2, -z, y+1/2'
'x+1/2, -z, -y+1/2'
'x+1/2, z, y+1/2'
'-x+1/2, z, -y+1/2'
'-z+1/2, -y, x+1/2'
'-z+1/2, y, -x+1/2'
'z+1/2, -y, -x+1/2'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'-y+1/2, z+1/2, x'
'y+1/2, z+1/2, -x'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
'-y+1/2, x+1/2, -z'
'y+1/2, -x+1/2, -z'
'-x+1/2, -z+1/2, y'
'x+1/2, -z+1/2, -y'
'x+1/2, z+1/2, y'
'-x+1/2, z+1/2, -y'
'-z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, -x'
'z+1/2, y+1/2, x'
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 1 2184.79 2397.62 19.65 o
0 0 2 7268.88 7813.37 72.97 o
0 2 2 4941.94 4978.44 32.67 o
2 2 2 11145.73 12030.87 93.95 o
1 1 3 42.22 22.32 0.38 o
1 3 3 1053.89 1063.26 5.33 o
3 3 3 2859.66 2780.65 24.18 o
0 0 4 42638.16 41047.22 458.60 o
0 2 4 3772.85 3703.69 17.01 o
2 2 4 1382.38 1379.86 6.89 o
0 4 4 18349.32 17293.13 148.59 o
2 4 4 1632.12 1577.09 8.58 o
4 4 4 9103.64 8917.25 85.31 o
1 1 5 2306.61 2457.47 11.80 o
1 3 5 379.31 377.78 1.80 o
3 3 5 0.82 5.28 0.33 o
1 5 5 2050.60 2025.73 11.83 o
3 5 5 711.52 647.83 4.66 o
5 5 5 1666.20 1650.30 18.39 o
0 0 6 4886.67 4817.94 53.02 o
0 2 6 2564.62 2487.99 13.41 o
2 2 6 558.73 520.00 3.58 o
0 4 6 2268.68 2280.93 12.82 o
2 4 6 1329.72 1270.45 5.64 o
4 4 6 1126.60 1077.24 7.37 o
0 6 6 1713.76 1684.43 14.16 o
2 6 6 14.65 20.46 0.77 o
4 6 6 991.31 1008.11 7.50 o
6 6 6 6.79 7.38 1.20 o
1 1 7 62.96 56.17 1.14 o
1 3 7 355.95 329.23 1.94 o
3 3 7 731.80 735.68 5.39 o
1 5 7 33.22 33.98 0.66 o
3 5 7 9.89 14.71 0.51 o
5 5 7 134.72 125.56 1.93 o
1 7 7 171.85 189.52 2.54 o
3 7 7 317.68 347.71 3.62 o
0 0 8 5004.17 5038.69 61.73 o
0 2 8 350.34 364.55 3.12 o
2 2 8 163.78 163.62 1.87 o
0 4 8 2900.35 2942.70 20.17 o
2 4 8 151.02 151.34 1.32 o
4 4 8 1750.09 1826.15 13.79 o
0 6 8 303.64 299.15 3.29 o
2 6 8 241.19 249.84 2.11 o
4 6 8 153.72 160.64 2.71 o
1 1 9 589.17 572.27 4.68 o
1 3 9 202.59 195.48 1.83 o
3 3 9 37.15 42.36 1.18 o
1 5 9 584.14 581.15 3.91 o
3 5 9 269.23 275.32 3.12 o
0 0 10 1265.19 1300.53 22.00 o
0 2 10 1070.40 1082.70 8.51 o
2 2 10 3.46 4.89 0.59 o
0 4 10 738.92 748.62 11.07 o
2 4 10 669.87 689.54 8.40 o