#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/66/2016692.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_2016692_Fobs
loop_
_publ_author_name
'Laval, Jean-Paul'
'Jennene Boukharrata, Nefla'
_publ_section_title
;
 Sodium iodine(V) oxyfluoride, NaIO~2~F~2~
;
_journal_coeditor_code           SQ3127
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i47
_journal_page_last               i49
_journal_volume                  64
_journal_year                    2008
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.9287
_cell_length_b                   7.2735
_cell_length_c                   7.3503
_exptl_crystal_F_000             392.00
_reflns_d_resolution_high        0.7110
_[local]_cod_data_source_file    sq3127Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  naio2f2 in C m C M'
_shelx_refln_list_code           4
_shelx_F_calc_maximum            211.28
_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+1/2'
'x, -y, -z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z-1/2'
'-x, y, z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'-x+1/2, y+1/2, z'
'x+1/2, -y+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
2 0 0 44038.10 44342.93 687.35 o
4 0 0 41298.11 43225.44 477.81 o
6 0 0 14291.18 14554.04 154.34 o
8 0 0 5429.75 5543.14 115.38 o
3 1 0 25906.44 26366.72 207.98 o
5 1 0 5126.77 5271.44 45.17 o
7 1 0 6966.83 6969.21 72.32 o
9 1 0 1614.16 1693.36 43.20 o
0 2 0 44638.95 45318.95 1399.03 o
2 2 0 11061.80 10802.79 129.60 o
4 2 0 17152.80 17681.81 152.30 o
6 2 0 6809.59 6805.66 55.73 o
8 2 0 2961.63 2924.00 51.65 o
1 3 0 1762.89 1572.36 16.15 o
3 3 0 4305.36 4243.70 38.05 o
5 3 0 983.19 1007.70 14.22 o
7 3 0 2220.80 2164.38 32.43 o
9 3 0 545.79 530.04 40.06 o
0 4 0 15976.31 15949.76 165.58 o
2 4 0 6718.90 6608.46 62.02 o
4 4 0 7247.44 7283.38 57.23 o
6 4 0 2916.64 2875.15 34.16 o
8 4 0 1346.70 1367.00 40.63 o
1 5 0 1806.73 1788.21 21.07 o
3 5 0 1738.92 1696.70 22.50 o
5 5 0 609.06 601.73 11.90 o
7 5 0 601.74 565.86 29.42 o
0 6 0 2116.76 2057.25 40.47 o
2 6 0 1362.68 1364.31 17.30 o
4 6 0 1042.74 1009.74 21.96 o
6 6 0 384.72 374.67 32.16 o
1 7 0 813.30 815.46 14.95 o
3 7 0 659.51 670.61 16.44 o
5 7 0 315.29 332.63 28.46 o
7 7 0 164.95 167.79 46.30 o
0 8 0 931.34 967.43 29.42 o
2 8 0 641.77 641.80 20.18 o
4 8 0 542.07 571.88 37.15 o
6 8 0 351.83 308.11 94.19 o
1 9 0 2187.38 2167.53 37.15 o
3 9 0 1971.38 1959.57 56.04 o
0 10 0 1015.82 826.31 78.75 o
2 10 0 735.35 1021.85 225.70 o
1 1 1 3543.31 3532.91 17.56 o
3 1 1 2983.10 3004.07 18.04 o
5 1 1 695.47 704.24 7.78 o
7 1 1 612.79 600.83 10.48 o
9 1 1 154.49 145.12 25.15 o
0 2 1 14353.07 14218.74 90.88 o
2 2 1 4199.90 4108.59 21.97 o
4 2 1 4850.11 4856.87 29.32 o
6 2 1 1979.92 1968.44 15.61 o
8 2 1 766.45 741.24 19.70 o
1 3 1 7693.18 7313.16 40.07 o
3 3 1 9141.46 9077.21 49.51 o
5 3 1 2562.95 2514.46 18.36 o
7 3 1 2841.37 2805.28 34.84 o
9 3 1 784.01 783.95 31.04 o
0 4 1 16196.78 15988.39 113.07 o
2 4 1 5629.49 5564.92 31.06 o
4 4 1 7693.68 7746.27 44.22 o
6 4 1 3670.37 3688.27 29.38 o
8 4 1 1634.61 1626.22 29.84 o
1 5 1 10458.22 10355.14 58.32 o
3 5 1 11301.70 11315.68 64.61 o
5 5 1 4188.32 4164.09 29.83 o
7 5 1 4023.13 4026.57 45.47 o
0 6 1 15481.73 15788.31 132.81 o
2 6 1 8114.29 8106.66 50.82 o
4 6 1 8399.29 8286.31 54.30 o
6 6 1 4280.58 4394.12 53.05 o
1 7 1 8141.00 8140.84 54.87 o
3 7 1 7875.51 7968.06 56.48 o
5 7 1 3712.62 3631.16 50.50 o
7 7 1 3095.60 3088.31 56.01 o
0 8 1 6159.49 6226.49 77.39 o
2 8 1 3931.70 4012.16 35.47 o
4 8 1 3853.05 3779.58 46.21 o
6 8 1 2168.85 2106.83 47.71 o
1 9 1 2425.89 2426.63 31.06 o
3 9 1 2314.65 2226.58 47.01 o
0 10 1 1418.26 1257.23 115.35 o
0 0 2 28511.62 26816.38 357.16 o
2 0 2 3112.75 2748.48 23.38 o
4 0 2 10796.96 10961.93 86.68 o
6 0 2 4559.93 4607.56 45.58 o
8 0 2 2208.37 2181.59 37.98 o
1 1 2 30482.23 29393.82 228.37 o
3 1 2 32514.59 33089.12 163.59 o
5 1 2 8640.06 8764.90 48.30 o
7 1 2 8767.66 8781.98 72.73 o
9 1 2 2175.61 2185.03 38.93 o
0 2 2 32286.43 31901.18 243.15 o
2 2 2 7808.97 7715.92 38.90 o
4 2 2 12002.10 12217.99 61.61 o
6 2 2 4736.18 4683.31 31.68 o
8 2 2 2164.68 2171.57 33.88 o
1 3 2 23248.70 23394.19 108.18 o
3 3 2 21194.09 21348.24 116.28 o
5 3 2 6810.87 6766.57 38.94 o
7 3 2 5474.69 5434.60 54.53 o
9 3 2 1452.92 1442.63 34.44 o
0 4 2 4742.03 4860.27 35.20 o
2 4 2 1224.74 1222.77 9.49 o
4 4 2 2421.62 2435.37 18.32 o
6 4 2 1043.19 1026.94 18.69 o
8 4 2 595.09 546.77 23.88 o
1 5 2 1963.48 2023.80 14.24 o
3 5 2 1981.88 1993.13 15.74 o
5 5 2 816.82 808.87 11.11 o
7 5 2 728.13 702.94 23.06 o
0 6 2 90.85 104.16 7.16 o
2 6 2 155.43 158.15 5.27 o
4 6 2 21.70 17.62 8.65 o
6 6 2 16.89 15.00 20.65 o
1 7 2 39.90 32.25 5.69 o
3 7 2 11.60 19.98 8.36 o
5 7 2 8.39 -10.01 23.06 o
0 8 2 875.13 914.07 19.97 o
2 8 2 617.73 641.64 17.07 o
4 8 2 531.67 461.39 27.81 o
1 9 2 625.04 645.94 31.13 o
3 9 2 653.60 616.81 39.71 o
0 10 2 2697.65 2519.32 127.76 o
1 1 3 4.34 17.69 3.21 o
3 1 3 200.53 192.49 4.56 o
5 1 3 43.74 57.05 6.55 o
7 1 3 180.66 189.51 11.95 o
9 1 3 50.14 -2.94 29.24 o
0 2 3 4115.72 3906.35 29.91 o
2 2 3 929.11 869.19 7.05 o
4 2 3 2015.80 2029.83 14.50 o
6 2 3 1009.15 1017.16 11.54 o
8 2 3 452.57 525.94 27.60 o
1 3 3 8995.77 9026.63 45.05 o
3 3 3 9370.59 9473.20 50.68 o
5 3 3 3025.04 3022.54 22.38 o
7 3 3 2836.12 2756.52 32.41 o
0 4 3 20820.20 20893.29 135.21 o
2 4 3 9737.65 9781.60 47.98 o
4 4 3 9776.66 9860.62 57.71 o
6 4 3 4576.94 4610.11 45.38 o
8 4 3 1981.78 1904.36 61.79 o
1 5 3 10669.22 10735.94 54.71 o
3 5 3 10827.52 10993.09 60.31 o
5 5 3 4338.22 4311.94 39.97 o
7 5 3 3858.46 3830.48 48.41 o
0 6 3 9452.81 9620.66 75.70 o
2 6 3 4921.32 5030.55 32.60 o
4 6 3 5547.34 5476.49 43.78 o
6 6 3 3013.18 3111.76 42.27 o
1 7 3 4880.54 4986.64 32.33 o
3 7 3 5001.08 5083.26 46.60 o
5 7 3 2446.96 2515.00 38.66 o
0 8 3 5431.46 5506.28 68.40 o
2 8 3 3578.43 3719.94 41.28 o
4 8 3 3462.03 3438.81 53.25 o
1 9 3 3297.86 3279.03 55.63 o
3 9 3 2996.33 2887.96 67.20 o
0 0 4 43678.50 43036.61 445.80 o
2 0 4 16466.90 16624.52 125.93 o
4 0 4 19285.71 19354.09 138.74 o
6 0 4 8223.57 8093.88 116.25 o
8 0 4 3569.75 3477.72 86.35 o
1 1 4 10368.73 10394.87 53.71 o
3 1 4 13170.13 13245.26 68.59 o
5 1 4 3785.35 3788.87 29.29 o
7 1 4 4790.37 4842.20 58.68 o
0 2 4 29559.36 29969.62 201.16 o
2 2 4 12121.15 12168.08 60.56 o
4 2 4 13771.09 13961.13 69.31 o
6 2 4 5988.32 5966.10 48.90 o
8 2 4 2687.23 2631.30 52.68 o
1 3 4 4324.36 4462.63 24.33 o
3 3 4 5427.44 5438.76 31.46 o
5 3 4 1784.56 1781.21 17.08 o
7 3 4 2227.86 2274.07 42.22 o
0 4 4 9015.79 9168.35 63.78 o
2 4 4 4501.31 4550.87 25.80 o
4 4 4 4687.91 4653.83 30.06 o
6 4 4 2104.40 2093.99 36.60 o
8 4 4 1036.63 1020.11 46.24 o
1 5 4 404.21 408.87 6.50 o
3 5 4 516.34 526.60 9.28 o
5 5 4 204.00 222.59 12.29 o
7 5 4 283.52 216.08 31.33 o
0 6 4 723.87 744.95 12.67 o
2 6 4 462.73 471.77 8.60 o
4 6 4 410.97 424.46 13.98 o
6 6 4 163.62 181.21 29.56 o
1 7 4 313.67 309.49 12.21 o
3 7 4 273.72 262.93 13.86 o
5 7 4 139.40 152.70 23.87 o
0 8 4 312.69 350.81 30.69 o
2 8 4 207.35 205.10 29.43 o
4 8 4 205.73 214.51 38.06 o
1 9 4 1534.30 1432.46 54.94 o
1 1 5 2350.50 2321.57 16.33 o
3 1 5 2026.71 1995.71 15.08 o
5 1 5 729.21 718.47 12.17 o
7 1 5 524.75 534.23 20.01 o
0 2 5 6797.09 6743.40 54.14 o
2 2 5 3285.18 3241.20 19.72 o
4 2 5 3225.91 3217.99 24.29 o
6 2 5 1533.05 1533.11 22.75 o
8 2 5 654.14 668.59 31.51 o
1 3 5 3942.28 3908.82 23.30 o
3 3 5 4485.09 4433.77 29.16 o
5 3 5 1688.51 1701.03 20.22 o
7 3 5 1746.68 1714.39 33.71 o
0 4 5 6761.20 6830.67 50.60 o
2 4 5 3082.45 3100.70 20.66 o
4 4 5 3900.51 3875.20 32.06 o
6 4 5 2132.34 2140.06 36.08 o
1 5 5 6023.54 6095.22 36.04 o
3 5 5 6296.94 6329.73 45.31 o
5 5 5 2798.42 2850.78 38.77 o
7 5 5 2620.87 2604.09 57.58 o
0 6 5 10101.66 10194.76 92.18 o
2 6 5 6239.22 6318.76 45.80 o
4 6 5 6001.24 5919.21 68.92 o
6 6 5 3308.25 3330.20 77.60 o
1 7 5 6248.74 6375.09 63.80 o
3 7 5 5864.26 5963.45 61.78 o
5 7 5 3083.56 2940.65 63.82 o
0 8 5 4208.61 4180.76 70.59 o
2 8 5 2911.59 2826.20 52.98 o
0 0 6 16732.80 16592.55 168.51 o
2 0 6 7262.64 7284.17 67.01 o
4 0 6 8790.06 8854.63 89.54 o
6 0 6 4284.21 4368.67 62.59 o
1 1 6 14976.67 15033.16 78.18 o
3 1 6 14906.79 15209.51 91.48 o
5 1 6 5900.77 5954.91 49.89 o
7 1 6 5168.90 5103.70 59.50 o
0 2 6 7450.78 7381.73 60.43 o
2 2 6 2896.88 2918.45 22.39 o
4 2 6 4292.46 4289.46 35.31 o
6 2 6 2203.15 2239.68 34.46 o
1 3 6 5817.87 5771.10 36.91 o
3 3 6 5945.03 6025.63 41.92 o
5 3 6 2531.33 2530.57 29.97 o
7 3 6 2323.41 2273.62 42.38 o
0 4 6 2419.17 2432.53 26.96 o
2 4 6 1118.02 1151.40 14.33 o
4 4 6 1475.49 1486.96 25.23 o
6 4 6 754.03 782.77 26.42 o
1 5 6 2307.39 2344.09 22.82 o
3 5 6 2002.61 1995.77 23.06 o
5 5 6 992.70 1003.57 30.24 o
0 6 6 39.41 32.61 18.94 o
2 6 6 13.67 9.33 17.14 o
4 6 6 30.61 43.34 25.98 o
1 7 6 11.38 16.24 33.07 o
3 7 6 15.96 22.39 34.44 o
0 8 6 1111.27 1119.63 76.97 o
2 8 6 876.29 773.35 98.35 o
1 1 7 263.12 252.01 9.54 o
3 1 7 319.71 318.72 11.47 o
5 1 7 129.65 150.56 16.04 o
7 1 7 149.84 166.22 31.30 o
0 2 7 2004.47 1974.69 27.99 o
2 2 7 1014.63 1030.51 16.30 o
4 2 7 1172.17 1231.32 25.37 o
6 2 7 658.27 675.36 26.31 o
1 3 7 3400.04 3416.89 28.05 o
3 3 7 3455.06 3511.67 34.97 o
5 3 7 1561.61 1542.69 26.37 o
0 4 7 6613.61 6594.41 80.38 o
2 4 7 3976.19 4015.06 40.57 o
4 4 7 3939.18 4040.75 44.12 o
6 4 7 2213.54 2217.98 59.60 o
1 5 7 5116.58 5165.13 44.28 o
3 5 7 5014.79 5112.00 52.37 o
5 5 7 2530.35 2440.69 51.62 o
0 6 7 5128.98 5113.34 65.88 o
2 6 7 3339.39 3363.61 37.92 o
4 6 7 3326.08 3301.65 61.54 o
1 7 7 3141.93 3167.97 58.93 o
0 0 8 9086.34 8875.35 144.41 o
2 0 8 4995.80 5092.73 72.78 o
4 0 8 5494.45 5447.23 69.73 o
6 0 8 3020.03 3025.06 86.13 o
1 1 8 4188.51 4178.78 38.24 o
3 1 8 4612.25 4678.16 43.45 o
5 1 8 2073.44 2066.23 36.24 o
0 2 8 10173.19 10280.84 112.97 o
2 2 8 6254.73 6362.50 52.23 o
4 2 8 6016.89 5960.32 56.73 o
1 3 8 3387.29 3407.18 34.97 o
3 3 8 3363.71 3409.43 40.20 o
5 3 8 1637.30 1554.96 36.59 o
0 4 8 2979.95 2961.31 46.14 o
2 4 8 1909.28 1885.38 32.51 o
4 4 8 1863.65 1856.71 37.75 o
1 5 8 67.55 110.92 22.96 o
3 5 8 99.47 70.82 28.80 o
0 6 8 80.73 151.59 58.49 o
2 6 8 49.92 57.62 57.99 o
1 1 9 195.71 173.19 20.59 o
3 1 9 212.16 219.27 25.13 o
0 2 9 1254.72 1236.21 40.20 o
2 2 9 771.14 763.65 31.14 o
4 2 9 797.27 773.43 48.69 o
1 3 9 2100.08 2073.45 32.20 o
3 3 9 2076.63 2091.23 46.52 o
0 4 9 3774.47 3707.62 75.05 o
2 4 9 2532.87 2567.70 43.72 o
0 0 10 5267.49 5413.78 180.21 o
2 0 10 3388.55 3217.15 79.97 o
1 1 10 4874.84 4678.75 75.61 o
0 2 10 2636.44 2480.81 108.63 o