#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/46/2014618.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_2014618_Fobs
loop_
_publ_author_name
'Smolentsev, Anton I.'
'Naumov, Dmitry Yu.'
_publ_section_title
;
 Two alkali metal chlorites, LiClO~2~ and KClO~2~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i17
_journal_page_last               i19
_journal_volume                  61
_journal_year                    2005
_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                   6.1446
_cell_length_b                   6.3798
_cell_length_c                   7.3755
_exptl_crystal_F_000             208.00
_reflns_d_resolution_high        0.7705
_[local]_cod_data_source_file    bc1064IIsup3.hkl
_[local]_cod_data_source_block   II
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     KClO2
_shelx_refln_list_code           4
_shelx_f_calc_maximum            106.11
_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 4436.94 3910.83 27.56 o
4 0 0 5484.35 5224.21 46.22 o
6 0 0 1471.63 1379.09 30.35 o
3 1 0 220.22 189.25 9.71 o
5 1 0 57.76 59.40 4.55 o
7 1 0 1.55 0.21 2.66 o
0 2 0 5841.39 5913.09 33.53 o
2 2 0 10565.92 11593.80 58.69 o
4 2 0 2412.89 2494.13 33.50 o
6 2 0 1026.01 1033.09 27.31 o
1 3 0 343.10 344.52 10.13 o
3 3 0 115.51 149.23 8.46 o
5 3 0 181.40 179.32 11.32 o
7 3 0 50.33 53.97 8.21 o
0 4 0 2320.05 2156.38 28.49 o
2 4 0 2998.54 3074.48 36.82 o
4 4 0 1046.51 1158.07 26.49 o
6 4 0 575.82 628.53 23.12 o
1 5 0 34.01 34.43 5.29 o
3 5 0 198.35 196.55 11.43 o
5 5 0 4.92 0.00 4.04 o
0 6 0 1409.93 1273.02 27.83 o
2 6 0 222.23 208.34 12.03 o
4 6 0 489.46 482.77 20.14 o
1 7 0 92.89 93.85 9.10 o
3 7 0 64.78 63.94 8.77 o
0 8 0 19.02 16.19 5.78 o
2 8 0 152.38 134.58 12.46 o
1 1 1 550.43 495.63 36.71 o
3 1 1 181.09 187.40 6.49 o
5 1 1 335.92 293.02 6.56 o
7 1 1 13.29 13.41 2.62 o
0 2 1 3093.42 3066.78 129.76 o
2 2 1 81.35 111.48 10.76 o
4 2 1 333.84 304.44 10.72 o
6 2 1 51.62 51.18 5.09 o
1 3 1 364.30 339.41 7.98 o
3 3 1 385.94 402.73 11.38 o
5 3 1 86.75 81.34 5.90 o
7 3 1 66.86 67.38 9.23 o
0 4 1 0.27 1.88 1.98 o
2 4 1 1314.32 1341.01 18.20 o
4 4 1 103.25 105.64 7.12 o
6 4 1 96.26 92.96 10.20 o
1 5 1 332.84 314.59 9.36 o
3 5 1 556.73 580.09 14.05 o
5 5 1 62.42 63.46 7.06 o
0 6 1 543.35 488.55 26.35 o
2 6 1 247.59 237.05 13.18 o
4 6 1 218.64 234.35 10.81 o
1 7 1 351.99 323.24 11.55 o
3 7 1 87.41 86.83 9.87 o
0 8 1 292.57 252.49 16.13 o
0 0 2 1781.10 1680.35 19.05 o
2 0 2 1419.70 1519.72 21.09 o
4 0 2 63.04 54.36 6.00 o
6 0 2 6.97 5.35 4.08 o
1 1 2 11259.92 11123.27 953.50 o
3 1 2 3736.30 3750.42 317.82 o
5 1 2 2453.33 2313.43 26.37 o
7 1 2 525.96 491.10 15.05 o
0 2 2 969.23 1018.03 17.14 o
2 2 2 66.17 68.95 6.28 o
4 2 2 36.94 39.37 5.59 o
6 2 2 0.03 3.72 4.02 o
1 3 2 3446.04 3701.40 38.86 o
3 3 2 4079.14 4577.84 53.06 o
5 3 2 532.96 538.75 20.28 o
7 3 2 699.14 749.99 28.03 o
0 4 2 238.96 235.73 10.43 o
2 4 2 5.47 4.28 4.67 o
4 4 2 42.76 49.33 7.66 o
6 4 2 0.32 1.29 5.72 o
1 5 2 1443.20 1368.33 28.39 o
3 5 2 503.98 550.60 21.01 o
5 5 2 665.06 739.95 28.53 o
0 6 2 0.71 0.00 4.06 o
2 6 2 254.49 259.66 14.30 o
4 6 2 6.36 7.14 6.36 o
1 7 2 228.81 208.44 13.45 o
3 7 2 160.79 158.32 13.25 o
0 8 2 181.57 174.32 13.41 o
1 1 3 241.68 236.88 6.91 o
3 1 3 67.25 72.29 6.53 o
5 1 3 201.53 192.60 8.39 o
7 1 3 6.82 9.35 5.16 o
0 2 3 1382.41 1472.62 23.65 o
2 2 3 18.03 23.18 4.58 o
4 2 3 209.81 205.94 12.34 o
6 2 3 38.69 40.98 7.50 o
1 3 3 242.16 254.28 11.61 o
3 3 3 261.84 264.51 13.87 o
5 3 3 70.23 74.09 8.95 o
7 3 3 50.89 45.72 9.83 o
0 4 3 6.31 15.48 4.94 o
2 4 3 814.25 899.55 24.38 o
4 4 3 87.01 96.49 10.11 o
6 4 3 74.22 74.41 10.95 o
1 5 3 259.57 271.83 13.68 o
3 5 3 398.10 424.70 19.44 o
5 5 3 55.37 56.96 9.87 o
0 6 3 390.71 361.97 16.72 o
2 6 3 192.31 196.94 13.37 o
4 6 3 165.16 186.36 15.34 o
1 7 3 265.30 250.72 15.65 o
3 7 3 75.06 82.52 10.30 o
0 0 4 9640.74 9198.80 65.40 o
2 0 4 2117.50 2092.44 32.14 o
4 0 4 2527.74 2496.81 39.94 o
6 0 4 861.24 759.24 26.38 o
1 1 4 11.14 13.78 2.74 o
3 1 4 61.02 61.30 5.91 o
5 1 4 17.58 15.62 3.81 o
7 1 4 0.69 0.00 4.90 o
0 2 4 2449.46 2373.24 33.79 o
2 2 4 3881.56 4206.63 49.82 o
4 2 4 1345.14 1381.69 31.86 o
6 2 4 623.05 643.01 24.79 o
1 3 4 110.55 123.41 8.97 o
3 3 4 21.32 21.97 6.21 o
5 3 4 71.35 76.78 9.48 o
0 4 4 1239.72 1240.30 27.50 o
2 4 4 1478.63 1530.19 33.68 o
4 4 4 636.07 708.91 26.31 o
6 4 4 346.25 371.01 21.49 o
1 5 4 26.21 28.64 5.61 o
3 5 4 93.84 116.11 11.31 o
5 5 4 0.25 0.00 5.46 o
0 6 4 718.31 677.35 23.73 o
2 6 4 171.98 177.82 13.60 o
4 6 4 280.94 310.95 19.57 o
1 7 4 59.66 63.40 9.03 o
1 1 5 72.07 67.60 4.95 o
3 1 5 9.71 8.59 5.31 o
5 1 5 80.05 78.19 6.59 o
0 2 5 414.21 418.32 15.88 o
2 2 5 0.15 3.12 4.32 o
4 2 5 97.07 102.74 10.39 o
6 2 5 22.88 25.48 7.10 o
1 3 5 123.84 129.97 10.22 o
3 3 5 130.25 136.33 11.21 o
5 3 5 43.06 42.23 8.56 o
0 4 5 26.20 27.31 6.13 o
2 4 5 369.74 391.41 18.60 o
4 4 5 61.76 66.54 9.10 o
1 5 5 152.26 157.58 12.29 o
3 5 5 206.02 230.15 15.91 o
0 6 5 218.31 222.61 14.68 o
2 6 5 121.38 130.00 12.33 o
0 0 6 39.78 37.42 6.00 o
2 0 6 106.27 103.01 9.25 o
4 0 6 3.60 2.13 4.94 o
6 0 6 0.51 0.00 4.28 o
1 1 6 1939.55 1833.83 175.07 o
3 1 6 1102.78 1057.64 20.59 o
5 1 6 759.33 723.17 19.25 o
0 2 6 87.84 82.65 8.95 o
2 2 6 0.39 0.00 4.64 o
4 2 6 7.90 11.03 5.16 o
1 3 6 983.29 1035.09 28.61 o
3 3 6 1036.87 1106.72 32.85 o
5 3 6 265.85 260.70 17.80 o
0 4 6 48.78 38.32 7.48 o
2 4 6 7.99 6.19 5.87 o
4 4 6 14.78 14.19 6.47 o
1 5 6 459.91 508.55 22.22 o
3 5 6 225.18 227.92 16.88 o
0 6 6 5.26 8.92 4.82 o
2 6 6 70.14 76.22 10.58 o
1 1 7 20.94 19.06 4.07 o
3 1 7 0.19 2.91 2.93 o
5 1 7 24.35 28.96 7.63 o
0 2 7 106.72 101.07 10.18 o
2 2 7 3.74 1.74 3.89 o
4 2 7 34.37 30.30 8.02 o
1 3 7 57.06 60.21 8.54 o
3 3 7 55.13 57.93 9.66 o
0 4 7 24.83 27.09 6.67 o
2 4 7 128.69 152.81 13.34 o
1 5 7 74.36 82.80 10.75 o
0 0 8 1008.87 923.73 29.61 o
2 0 8 520.61 493.37 22.79 o
4 0 8 461.34 428.84 22.28 o
1 1 8 5.04 3.70 3.59 o
3 1 8 7.84 4.47 4.94 o
0 2 8 525.54 515.54 22.92 o
2 2 8 603.57 613.75 25.93 o
1 3 8 16.70 14.40 5.78 o
3 3 8 0.46 0.00 5.78 o
0 4 8 286.47 278.53 18.39 o
2 4 8 291.15 295.24 19.44 o
1 1 9 5.31 5.29 5.70 o
0 2 9 26.77 25.97 7.22 o