#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/00/86/2008618.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_2008618_Fobs
loop_
_publ_author_name
'Levason, W.'
'Webster, M.'
_publ_section_title
;
 Ammonium tetraoxoiodate(VII)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              IUC9900052
_journal_volume                  55
_journal_year                    1999
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.9925
_cell_length_b                   5.9925
_cell_length_c                   12.5740
_exptl_crystal_F_000             384.00
_reflns_d_resolution_high        0.8415
_[local]_cod_data_source_file    qa0117sup2.hkl
_[local]_cod_data_source_block   nh4io4
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  NH4[IO4]'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            218.32
_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+1/2, z'
'-y+3/4, x+1/4, z+1/4'
'y+1/4, -x+1/4, z+1/4'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1, z+1/2'
'-y+5/4, x+3/4, z+3/4'
'y+3/4, -x+3/4, z+3/4'
'-x, -y, -z'
'x, y-1/2, -z'
'y-3/4, -x-1/4, -z-1/4'
'-y-1/4, x-1/4, -z-1/4'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y, -z+1/2'
'y-1/4, -x+1/4, -z+1/4'
'-y+1/4, x+1/4, -z+1/4'
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 2 0 24158.14 21127.96 591.43 o
2 2 0 28398.44 29318.27 1156.71 o
-2 4 0 15562.04 15956.38 639.40 o
0 4 0 14777.96 15187.54 432.74 o
2 4 0 24859.87 26185.23 1043.83 o
4 4 0 6837.57 6782.37 287.51 o
-2 6 0 10236.45 10192.14 424.38 o
0 6 0 8646.27 9018.62 440.94 o
2 6 0 4596.38 4489.31 207.39 o
0 1 1 18976.78 19713.84 1886.53 o
-1 2 1 2989.32 2717.09 113.29 o
1 2 1 16057.79 15417.88 611.64 o
-2 3 1 4893.12 4692.80 194.91 o
0 3 1 3772.57 3725.35 111.80 o
2 3 1 12719.03 13174.41 528.37 o
-3 4 1 5769.24 5575.64 235.74 o
-1 4 1 5169.00 5016.79 209.65 o
1 4 1 5941.00 5637.26 238.65 o
3 4 1 6470.12 5904.20 250.11 o
-4 5 1 1595.23 1509.77 83.78 o
-2 5 1 5083.58 4892.16 210.08 o
0 5 1 6472.47 6687.37 201.07 o
2 5 1 3575.69 3547.96 162.38 o
4 5 1 1753.27 1833.35 98.10 o
-3 6 1 1801.34 1733.66 94.52 o
-1 6 1 4893.30 5124.96 224.57 o
1 6 1 1729.23 1647.22 95.05 o
3 6 1 2778.78 2498.24 129.11 o
0 7 1 1600.92 1703.13 98.40 o
1 1 2 47665.27 53258.20 2158.24 o
0 2 2 1065.49 1178.63 38.69 o
2 2 2 900.76 1001.64 48.97 o
-1 3 2 14750.33 14672.78 584.61 o
1 3 2 26151.01 28922.77 1144.80 o
3 3 2 18956.50 18897.79 754.72 o
-2 4 2 948.18 922.07 51.07 o
0 4 2 807.80 754.27 32.87 o
2 4 2 0.52 -0.44 20.31 o
4 4 2 6.83 24.63 21.16 o
-3 5 2 7848.70 7820.99 328.95 o
-1 5 2 14405.10 14231.98 576.30 o
1 5 2 10694.28 9907.34 412.83 o
3 5 2 8536.24 8394.64 354.67 o
-2 6 2 14.98 -0.46 22.90 o
0 6 2 1.82 23.68 17.91 o
2 6 2 25.70 41.14 27.81 o
0 1 3 15235.01 15349.83 428.78 o
-1 2 3 12949.74 13366.03 531.13 o
1 2 3 1959.69 1800.36 79.48 o
-2 3 3 9754.66 9993.90 403.39 o
0 3 3 6901.33 7237.11 373.61 o
2 3 3 7499.57 7707.59 314.82 o
-3 4 3 2228.27 2299.29 107.89 o
-1 4 3 5763.96 5680.28 236.52 o
1 4 3 9545.46 9382.22 385.18 o
3 4 3 3728.94 3641.05 162.96 o
-4 5 3 2272.03 2084.51 108.26 o
-2 5 3 5006.42 4900.61 211.72 o
0 5 3 2145.70 2186.75 76.39 o
2 5 3 4257.02 4289.17 191.72 o
4 5 3 3667.15 3756.31 176.01 o
-3 6 3 3371.92 3450.16 161.84 o
-1 6 3 2685.38 2575.17 126.39 o
1 6 3 2960.23 2972.92 148.29 o
3 6 3 1535.46 1513.75 90.15 o
0 0 4 25434.12 25920.60 1079.13 o
1 1 4 2951.07 3147.66 130.55 o
0 2 4 33307.80 33188.13 2609.53 o
2 2 4 22252.64 22857.69 905.83 o
-1 3 4 20.66 7.69 14.75 o
1 3 4 165.79 175.53 12.55 o
3 3 4 329.64 303.43 22.25 o
-2 4 4 12820.20 13422.00 541.93 o
0 4 4 16598.95 16225.58 925.46 o
2 4 4 10196.86 9955.73 408.53 o
4 4 4 9257.97 9276.04 386.87 o
-3 5 4 15.42 38.47 21.70 o
-1 5 4 4.16 -6.79 21.24 o
1 5 4 299.54 298.85 22.82 o
3 5 4 464.95 477.57 33.96 o
-2 6 4 5621.05 5649.84 247.37 o
0 6 4 7299.79 7124.50 218.20 o
2 6 4 7800.68 7695.92 335.72 o
0 1 5 4704.39 4551.74 347.14 o
-1 2 5 10041.48 9447.22 379.78 o
1 2 5 13100.91 14177.81 565.54 o
-2 3 5 4974.68 5118.52 214.24 o
0 3 5 11302.55 11005.74 656.09 o
2 3 5 3018.96 2976.69 131.03 o
-3 4 5 5244.35 5001.90 216.41 o
-1 4 5 5663.37 5603.08 235.27 o
1 4 5 2666.40 2855.26 130.77 o
3 4 5 3192.28 3315.98 151.19 o
-4 5 5 3646.73 3438.92 164.04 o
-2 5 5 2054.55 2101.15 103.65 o
0 5 5 4898.82 4890.65 151.45 o
2 5 5 3093.92 3035.59 143.46 o
4 5 5 2214.55 2391.98 122.00 o
-1 6 5 1770.64 1887.06 100.06 o
1 6 5 3555.55 3685.72 178.19 o
1 1 6 20380.97 21379.77 846.88 o
0 2 6 33.21 39.87 5.13 o
2 2 6 7.53 -12.09 16.41 o
-1 3 6 28214.85 27141.28 1076.65 o
1 3 6 13614.94 14379.35 578.64 o
3 3 6 8098.81 8315.99 343.35 o
-2 4 6 22.76 14.75 19.24 o
0 4 6 11.19 37.57 14.86 o
2 4 6 3.47 -24.12 24.12 o
4 4 6 0.63 7.08 22.60 o
-3 5 6 7929.53 7981.00 338.71 o
-1 5 6 5737.79 5577.22 240.55 o
1 5 6 9873.47 10017.39 419.57 o
3 5 6 6980.74 6769.40 294.58 o
-2 6 6 0.74 -25.92 25.92 o
0 6 6 3.94 -1.12 33.67 o
2 6 6 1.74 -28.30 31.25 o
0 1 7 4341.26 4219.57 216.64 o
-1 2 7 9252.67 9410.70 380.79 o
1 2 7 8602.18 8940.24 363.09 o
-2 3 7 4829.69 4782.19 204.01 o
0 3 7 8549.12 8518.12 414.09 o
2 3 7 2141.48 2300.19 107.41 o
-3 4 7 3959.48 4297.83 190.81 o
-1 4 7 4918.51 4755.16 204.98 o
1 4 7 2840.48 3055.60 140.08 o
3 4 7 2520.70 2632.54 126.04 o
-2 5 7 1594.60 1632.32 88.38 o
0 5 7 3409.05 3516.02 115.79 o
2 5 7 2843.49 2994.98 145.95 o
-1 6 7 1352.29 1463.18 85.64 o
1 6 7 3263.36 3484.52 171.54 o
0 0 8 10054.66 10011.76 403.87 o
1 1 8 607.82 566.17 35.83 o
0 2 8 19140.53 19392.61 547.23 o
2 2 8 13197.94 13180.85 532.32 o
-1 3 8 0.23 -18.24 18.91 o
1 3 8 27.73 -4.85 20.68 o
3 3 8 107.23 104.95 12.38 o
-2 4 8 8415.53 8298.93 346.60 o
0 4 8 10809.65 10959.56 371.14 o
2 4 8 6251.05 6332.66 271.70 o
4 4 8 7328.57 7410.04 317.94 o
-3 5 8 13.61 31.60 25.34 o
-1 5 8 5.23 -0.48 23.04 o
1 5 8 174.21 160.88 17.51 o
3 5 8 162.04 172.79 18.74 o
0 6 8 5374.71 5474.43 176.38 o
0 1 9 6401.42 6593.53 239.18 o
-1 2 9 7087.91 6905.76 286.43 o
1 2 9 2069.07 2081.95 98.21 o
-2 3 9 5042.71 5112.33 220.32 o
0 3 9 4733.36 4795.13 366.04 o
2 3 9 3444.21 3581.77 160.59 o
-3 4 9 1551.74 1525.46 85.28 o
-1 4 9 3106.94 3124.63 143.88 o
1 4 9 4389.82 4501.93 201.50 o
3 4 9 2140.76 2129.36 109.98 o
-2 5 9 2547.55 2512.41 125.34 o
0 5 9 1487.02 1531.88 62.86 o
2 5 9 2655.23 2562.46 130.37 o
1 1 10 12418.35 12322.15 499.47 o
0 2 10 171.02 180.00 12.18 o
2 2 10 182.45 202.52 14.63 o
-1 3 10 7849.58 7318.21 307.38 o
1 3 10 9181.79 10073.98 416.87 o
3 3 10 7832.21 7833.12 332.18 o
-2 4 10 335.83 325.64 23.33 o
0 4 10 323.02 324.06 26.13 o
2 4 10 0.96 -25.48 25.48 o
-1 5 10 5984.47 6063.77 267.06 o
1 5 10 5597.71 5958.75 267.40 o
0 1 11 4718.64 4652.72 142.38 o
-1 2 11 2247.81 2275.50 109.16 o
1 2 11 5396.07 5255.60 226.94 o
-2 3 11 1954.91 1873.38 98.92 o
0 3 11 2269.51 2121.52 98.22 o
2 3 11 3727.96 3644.27 167.52 o
-1 4 11 2146.14 2331.04 116.56 o
1 4 11 2104.87 2140.18 113.25 o
0 0 12 14477.30 14619.65 593.12 o
1 1 12 32.51 14.26 20.74 o
0 2 12 6096.53 6213.04 188.70 o
2 2 12 7005.20 6880.97 294.63 o
-1 3 12 0.41 1.27 23.38 o
1 3 12 0.23 39.22 19.74 o
3 3 12 12.30 24.46 22.73 o
0 4 12 4809.10 4796.14 154.33 o
0 1 13 3745.45 3525.94 135.50 o
-1 2 13 1598.16 1550.72 85.74 o
1 2 13 2840.01 2891.18 140.10 o
0 3 13 1392.07 1376.16 64.44 o
1 1 14 6092.04 5617.54 248.33 o
0 2 14 22.12 28.99 18.87 o