#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2015402.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_2015402_Fobs
loop_
_publ_author_name
'Goreshnik, Evgeny'
'Mazej, Zoran'
_publ_section_title
;
 Hexafluoroiodium(VII) hexafluoroarsenate
;
_journal_coeditor_code           BC3005
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i59
_journal_page_last               i60
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.4086
_cell_length_b                   9.4086
_cell_length_c                   9.4086
_exptl_crystal_F_000             776.00
_reflns_d_resolution_high        0.7302
_[local]_cod_data_source_file    bc3005Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  Template texray.inf'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            281.83
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x+1/2, -y, z+1/2'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z, x+1/2, -y+1/2'
'-z+1/2, -x, y+1/2'
'y, z, x'
'y+1/2, -z+1/2, -x'
'-y, z+1/2, -x+1/2'
'-y+1/2, -z, x+1/2'
'-x, -y, -z'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'
'x-1/2, y, -z-1/2'
'-z, -x, -y'
'-z-1/2, x-1/2, y'
'z, -x-1/2, y-1/2'
'z-1/2, x, -y-1/2'
'-y, -z, -x'
'-y-1/2, z-1/2, x'
'y, -z-1/2, x-1/2'
'y-1/2, z, -x-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 1 4645.61 4265.75 45.66 o
1 0 2 26.95 46.94 3.81 o
1 1 2 79.30 91.62 4.03 o
0 2 2 79426.98 77600.45 704.68 o
2 2 2 64581.45 64014.60 542.70 o
1 1 3 3084.52 3059.62 27.82 o
2 1 3 24.06 30.69 3.71 o
0 2 3 31.96 50.82 8.36 o
1 2 3 5856.74 6038.81 48.77 o
2 2 3 52.46 52.47 4.54 o
1 3 3 3910.96 3823.62 38.30 o
2 3 3 10301.29 10846.81 109.55 o
3 3 3 2917.76 3027.48 67.82 o
0 0 4 6586.89 5729.16 95.92 o
1 0 4 258.39 253.16 13.33 o
2 0 4 36091.90 34522.13 302.15 o
3 0 4 15.22 18.88 5.45 o
1 1 4 5687.79 5824.54 51.56 o
2 1 4 15.13 16.63 2.95 o
3 1 4 736.38 702.15 18.15 o
0 2 4 26850.51 25509.03 401.27 o
1 2 4 104.20 103.19 5.54 o
2 2 4 48677.69 48900.96 472.52 o
3 2 4 65.40 61.57 6.42 o
1 3 4 4353.93 4511.52 65.69 o
2 3 4 16.02 19.27 4.45 o
3 3 4 706.97 688.66 18.36 o
0 4 4 65384.90 65896.27 720.91 o
1 4 4 2.73 8.81 3.18 o
2 4 4 53899.42 55892.14 518.67 o
3 4 4 2.20 7.59 4.06 o
4 4 4 30640.19 33105.10 763.87 o
1 1 5 1991.04 2014.35 34.68 o
2 1 5 421.75 411.29 13.38 o
3 1 5 1743.60 1720.03 30.23 o
4 1 5 668.49 645.11 18.19 o
0 2 5 144.92 129.36 16.76 o
1 2 5 854.19 893.61 20.20 o
2 2 5 25.50 21.74 5.37 o
3 2 5 483.10 502.65 17.65 o
4 2 5 5.79 6.19 3.17 o
1 3 5 2588.87 2560.68 48.44 o
2 3 5 448.26 453.74 15.13 o
3 3 5 1283.51 1326.00 29.97 o
4 3 5 7.92 12.90 5.57 o
0 4 5 275.01 255.09 19.63 o
1 4 5 1674.46 1661.07 33.80 o
2 4 5 6.12 8.07 2.99 o
3 4 5 791.24 769.30 24.14 o
4 4 5 33.20 36.74 8.79 o
1 5 5 1695.44 1686.12 47.38 o
2 5 5 84.44 79.76 9.05 o
3 5 5 1034.35 1075.50 34.89 o
4 5 5 738.79 692.50 28.10 o
5 5 5 752.21 779.39 52.95 o
0 0 6 22942.65 22619.88 345.73 o
1 0 6 25.38 30.76 10.28 o
2 0 6 41944.61 42655.37 517.47 o
3 0 6 4.22 6.07 3.77 o
4 0 6 46434.79 47937.75 979.75 o
5 0 6 142.50 126.69 18.00 o
1 1 6 1835.65 1928.16 33.49 o
2 1 6 22.26 23.16 5.89 o
3 1 6 115.05 102.76 9.90 o
4 1 6 28.53 28.16 7.40 o
5 1 6 433.15 401.28 22.22 o
0 2 6 31229.60 31309.26 435.02 o
1 2 6 36.36 34.56 5.27 o
2 2 6 36052.01 36911.29 300.27 o
3 2 6 51.53 48.07 7.35 o
4 2 6 29553.13 30541.52 425.67 o
5 2 6 0.09 8.89 5.01 o
1 3 6 662.81 707.23 27.64 o
2 3 6 56.03 47.66 5.03 o
3 3 6 894.69 890.38 28.45 o
4 3 6 62.09 51.49 8.85 o
5 3 6 73.62 64.23 11.45 o
0 4 6 30719.88 31470.21 619.48 o
1 4 6 0.66 5.20 3.02 o
2 4 6 23505.00 23960.08 356.39 o
3 4 6 32.69 27.09 6.70 o
4 4 6 14982.23 15296.05 289.50 o
5 4 6 47.34 39.24 11.35 o
1 5 6 1947.54 2073.72 54.69 o
2 5 6 10.61 18.45 8.16 o
3 5 6 653.48 652.86 32.67 o
4 5 6 11.27 13.59 6.88 o
5 5 6 690.31 676.56 40.78 o
0 6 6 17074.20 16845.71 416.01 o
1 6 6 36.10 33.65 9.33 o
2 6 6 14695.66 14536.48 307.69 o
3 6 6 73.56 75.27 14.29 o
4 6 6 13259.12 13772.06 368.64 o
5 6 6 4.82 11.53 9.27 o
6 6 6 12568.92 13507.13 608.99 o
1 1 7 1864.16 1842.04 39.78 o
2 1 7 1731.85 1825.72 46.26 o
3 1 7 689.51 674.63 26.33 o
4 1 7 124.03 115.20 10.98 o
5 1 7 686.96 687.57 31.12 o
6 1 7 661.02 689.20 34.03 o
0 2 7 0.55 9.38 9.35 o
1 2 7 1393.22 1330.10 39.72 o
2 2 7 0.31 5.65 4.33 o
3 2 7 3647.00 3711.67 80.69 o
4 2 7 4.19 8.40 4.47 o
5 2 7 370.92 355.36 23.97 o
6 2 7 4.45 14.14 6.92 o
1 3 7 1081.57 1104.32 39.06 o
2 3 7 26.94 17.82 6.68 o
3 3 7 574.65 539.15 26.81 o
4 3 7 10.10 13.83 7.55 o
5 3 7 842.65 864.55 44.62 o
6 3 7 4.06 10.94 8.43 o
0 4 7 4.93 7.42 6.09 o
1 4 7 1.46 7.89 5.10 o
2 4 7 0.54 10.19 6.32 o
3 4 7 49.20 39.37 8.62 o
4 4 7 0.04 8.32 6.52 o
5 4 7 88.46 73.36 15.06 o
6 4 7 0.38 12.02 10.52 o
1 5 7 946.73 954.86 40.69 o
2 5 7 50.81 58.98 11.42 o
3 5 7 881.84 921.49 39.60 o
4 5 7 40.89 20.43 8.81 o
5 5 7 649.28 646.86 42.31 o
6 5 7 95.21 79.69 20.98 o
0 6 7 0.08 6.62 8.41 o
1 6 7 344.53 316.35 23.23 o
2 6 7 1.80 11.20 5.37 o
3 6 7 816.09 820.00 43.41 o
4 6 7 1.03 12.92 10.16 o
5 6 7 69.97 95.74 21.45 o
6 6 7 0.16 15.14 14.40 o
1 7 7 733.28 715.40 36.88 o
2 7 7 92.10 76.79 14.10 o
3 7 7 998.47 1086.96 48.22 o
4 7 7 20.72 19.19 14.06 o
5 7 7 416.53 423.86 44.07 o
6 7 7 20.58 32.03 16.91 o
0 0 8 27687.24 28451.50 1013.30 o
1 0 8 75.40 63.34 13.85 o
2 0 8 23368.49 23770.61 562.88 o
3 0 8 61.30 58.97 12.80 o
4 0 8 17672.66 17844.51 474.76 o
5 0 8 6.17 4.81 8.14 o
6 0 8 12328.46 13023.73 302.07 o
7 0 8 0.03 12.44 13.85 o
1 1 8 249.05 234.66 19.42 o
2 1 8 32.89 33.97 8.69 o
3 1 8 1.35 7.10 6.32 o
4 1 8 3.34 12.83 6.82 o
5 1 8 8.92 9.85 5.26 o
6 1 8 13.44 18.84 6.15 o
7 1 8 0.49 16.74 8.62 o
0 2 8 27754.46 29052.47 740.23 o
1 2 8 23.59 19.11 8.66 o
2 2 8 19651.27 19915.77 421.96 o
3 2 8 11.13 13.29 6.05 o
4 2 8 11861.86 11700.76 292.38 o
5 2 8 4.36 7.89 7.12 o
6 2 8 10663.50 10823.05 193.52 o
7 2 8 2.46 12.78 8.99 o
1 3 8 755.75 725.59 34.38 o
2 3 8 88.87 87.15 13.91 o
3 3 8 72.42 67.83 13.06 o
4 3 8 5.84 16.97 7.87 o
5 3 8 58.85 43.60 14.00 o
6 3 8 39.51 38.43 13.85 o
7 3 8 6.15 14.39 8.33 o
0 4 8 17361.29 17768.69 478.06 o
1 4 8 0.02 8.86 6.45 o
2 4 8 13036.96 13109.18 284.03 o
3 4 8 2.60 11.82 7.17 o
4 4 8 8892.85 8598.76 239.60 o
5 4 8 2.11 11.22 7.45 o
6 4 8 9253.06 9501.31 292.35 o
7 4 8 0.86 17.22 10.94 o
1 5 8 73.81 70.79 14.69 o
2 5 8 6.37 17.52 8.07 o
3 5 8 208.06 207.94 19.74 o
4 5 8 3.70 13.59 8.80 o
5 5 8 22.79 23.83 13.52 o
6 5 8 9.14 12.99 13.44 o
7 5 8 73.13 36.36 16.25 o
0 6 8 6921.89 6682.48 251.97 o
1 6 8 3.69 15.23 8.92 o
2 6 8 9507.69 9598.07 155.16 o
3 6 8 5.21 14.51 8.73 o
4 6 8 11622.82 12309.12 412.72 o
5 6 8 0.89 9.14 9.91 o
6 6 8 7743.49 7957.79 393.72 o
7 6 8 3.56 8.63 17.90 o
1 7 8 79.42 76.22 16.11 o
2 7 8 2.04 17.37 9.66 o
3 7 8 71.90 74.15 17.83 o
4 7 8 2.27 11.91 11.14 o
5 7 8 3.56 18.82 12.09 o
6 7 8 0.02 9.21 38.35 o
0 8 8 5789.62 5697.46 382.59 o
1 8 8 6.73 18.65 12.32 o
2 8 8 7856.35 8012.00 329.29 o
3 8 8 5.10 15.71 9.45 o
4 8 8 8425.86 8871.15 288.52 o
5 8 8 0.37 25.46 20.02 o
1 1 9 1086.99 1036.41 44.84 o
2 1 9 155.17 139.53 16.74 o
3 1 9 743.81 715.02 39.49 o
4 1 9 158.06 135.84 19.07 o
5 1 9 426.50 439.20 34.07 o
6 1 9 137.87 145.90 23.72 o
7 1 9 288.14 285.04 35.46 o
8 1 9 36.19 21.20 21.54 o
0 2 9 11.57 18.80 10.01 o
1 2 9 687.78 631.16 33.44 o
2 2 9 1.66 7.77 6.72 o
3 2 9 695.29 622.76 36.07 o
4 2 9 4.40 16.16 9.50 o
5 2 9 181.46 175.89 23.04 o
6 2 9 8.84 12.47 9.85 o
7 2 9 200.30 171.03 26.89 o
8 2 9 0.76 38.08 24.17 o
1 3 9 545.64 564.90 32.81 o
2 3 9 1.01 15.20 8.00 o
3 3 9 519.17 486.16 36.14 o
4 3 9 48.50 39.11 13.68 o
5 3 9 556.09 570.48 40.70 o
6 3 9 41.77 36.79 14.92 o
7 3 9 491.35 477.27 37.81 o
8 3 9 0.23 18.02 23.30 o
0 4 9 133.08 135.73 26.17 o
1 4 9 102.99 93.91 17.31 o
2 4 9 0.74 15.90 9.00 o
3 4 9 9.42 11.26 8.69 o
4 4 9 37.98 31.91 13.20 o
5 4 9 181.41 183.16 23.53 o
6 4 9 1.67 18.71 9.99 o
7 4 9 0.09 8.37 16.25 o
8 4 9 2.27 10.40 21.19 o
1 5 9 415.49 406.87 28.53 o
2 5 9 95.84 92.48 16.08 o
3 5 9 456.51 456.46 36.65 o
4 5 9 155.22 155.27 24.94 o
5 5 9 408.58 408.78 45.38 o
6 5 9 80.27 58.02 22.64 o
7 5 9 307.01 285.12 49.26 o
0 6 9 77.14 71.93 20.80 o
1 6 9 0.94 19.72 10.43 o
2 6 9 0.27 15.13 8.17 o
3 6 9 48.43 27.18 13.31 o
4 6 9 30.25 21.06 14.83 o
5 6 9 32.23 28.76 18.57 o
6 6 9 0.03 16.70 24.09 o
1 7 9 372.43 348.18 32.31 o
2 7 9 20.02 22.24 12.00 o
3 7 9 420.27 448.99 42.22 o
4 7 9 0.79 21.77 22.46 o
0 8 9 5.40 22.42 19.44 o
1 8 9 23.30 30.54 17.00 o
2 8 9 5.45 12.25 17.54 o
3 8 9 41.30 46.25 42.88 o
2 9 9 15.52 -0.37 35.27 o
0 0 10 9056.03 8425.65 527.50 o
1 0 10 39.40 42.25 21.49 o
2 0 10 7807.74 7292.26 220.88 o
3 0 10 4.19 38.98 27.52 o
4 0 10 8337.02 8085.31 402.12 o
5 0 10 82.19 45.83 28.17 o
6 0 10 9425.79 10159.20 463.61 o
1 1 10 161.48 149.11 22.61 o
2 1 10 3.20 17.16 10.66 o
3 1 10 3.41 19.92 13.90 o
4 1 10 1.14 20.87 12.67 o
5 1 10 54.76 22.16 18.52 o
6 1 10 0.39 18.19 13.69 o
7 1 10 44.92 51.72 39.62 o
0 2 10 12967.00 13185.71 298.77 o
1 2 10 17.63 27.49 13.01 o
2 2 10 9432.82 9351.06 176.20 o
3 2 10 8.31 18.16 8.85 o
4 2 10 6693.28 6419.06 235.38 o
5 2 10 9.01 23.67 16.00 o
6 2 10 6901.33 7100.14 254.11 o
7 2 10 0.03 38.41 30.70 o
1 3 10 80.48 73.14 17.46 o
2 3 10 1.93 21.87 8.49 o
3 3 10 28.47 29.57 12.43 o
4 3 10 3.24 16.89 10.19 o
5 3 10 21.83 28.02 10.84 o
6 3 10 5.78 14.31 15.20 o
7 3 10 94.15 60.21 33.77 o
0 4 10 13418.71 14166.07 609.28 o
1 4 10 0.00 25.84 11.07 o
2 4 10 10188.73 10712.19 326.19 o
3 4 10 2.52 11.05 10.71 o
4 4 10 5921.83 5670.71 254.86 o
5 4 10 11.71 18.29 13.19 o
6 4 10 4233.62 3839.72 144.18 o
7 4 10 2.08 17.19 25.29 o
1 5 10 224.93 219.13 24.33 o
2 5 10 0.09 18.53 11.45 o
3 5 10 22.94 22.04 12.71 o
4 5 10 20.76 10.65 11.78 o
5 5 10 79.87 69.54 36.26 o
6 5 10 8.94 19.08 27.11 o
0 6 10 5832.73 5695.72 343.27 o
1 6 10 8.13 12.47 10.75 o
2 6 10 6935.45 6831.83 150.11 o
3 6 10 5.97 17.89 13.66 o
4 6 10 6605.49 6821.78 300.77 o
1 7 10 133.00 104.48 21.34 o
2 7 10 7.31 15.62 20.97 o
1 1 11 304.71 287.43 32.57 o
2 1 11 346.58 340.78 43.20 o
3 1 11 602.98 600.75 55.94 o
4 1 11 0.35 9.69 12.38 o
5 1 11 343.09 317.34 63.27 o
0 2 11 0.47 15.88 18.41 o
1 2 11 0.40 14.63 10.80 o
2 2 11 1.98 25.47 16.80 o
3 2 11 47.64 37.30 15.32 o
4 2 11 1.17 20.04 12.17 o
5 2 11 202.13 179.24 40.46 o
1 3 11 331.99 337.29 38.51 o
2 3 11 12.29 18.40 15.21 o
3 3 11 449.23 455.38 45.15 o
4 3 11 19.61 21.22 17.24 o
5 3 11 321.05 342.93 61.05 o
0 4 11 1.12 13.44 14.65 o
1 4 11 0.07 21.92 11.55 o
2 4 11 3.21 11.19 14.86 o
3 4 11 27.27 24.39 21.31 o
4 4 11 6.76 28.02 26.91 o
5 4 11 40.06 17.21 29.80 o
1 5 11 335.63 350.16 38.81 o
2 5 11 59.76 25.60 28.53 o
3 5 11 240.11 235.04 66.47 o
4 5 11 5.55 29.79 46.67 o
0 6 11 5.09 26.31 21.28 o
1 6 11 8.89 25.63 18.05 o
2 6 11 0.07 17.98 23.48 o
3 6 11 29.06 13.46 39.23 o
0 0 12 4207.16 3755.48 285.26 o
1 0 12 0.86 13.36 29.02 o
2 0 12 4790.59 4402.98 324.80 o
1 1 12 6.41 20.84 25.45 o
2 1 12 18.30 46.30 34.28 o
4 1 12 1.71 9.04 15.82 o
0 2 12 5140.68 4932.73 251.62 o
1 2 12 1.19 4.70 20.49 o
2 2 12 5121.91 4679.64 341.12 o
3 2 12 0.93 18.62 41.36 o
1 3 12 98.38 94.78 39.83 o
0 4 12 5507.04 5761.00 398.05 o