#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/46/2014617.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_2014617_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           138
_symmetry_space_group_name_Hall  '-P 4ac 2ac'
_symmetry_space_group_name_H-M   'P 42/n c m :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.7223
_cell_length_b                   4.7223
_cell_length_c                   10.2976
_exptl_crystal_F_000             148.00
_reflns_d_resolution_high        0.8301
_[local]_cod_data_source_file    bc1064Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     LiClO2
_shelx_refln_list_code           4
_shelx_f_calc_maximum            57.02
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y+1/2, x, z+1/2'
'-x+1/2, -y+1/2, z'
'y, -x+1/2, z+1/2'
'x+1/2, -y, -z+1/2'
'-x, y+1/2, -z+1/2'
'y+1/2, x+1/2, -z'
'-y, -x, -z'
'-x, -y, -z'
'y-1/2, -x, -z-1/2'
'x-1/2, y-1/2, -z'
'-y, x-1/2, -z-1/2'
'-x-1/2, y, z-1/2'
'x, -y-1/2, z-1/2'
'-y-1/2, -x-1/2, z'
'y, x, z'
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 0 2711.35 2856.24 115.18 o
0 2 0 354.10 328.90 102.12 o
2 2 0 3002.65 3296.40 170.94 o
1 3 0 272.23 324.01 69.83 o
3 3 0 924.46 986.09 127.60 o
0 4 0 817.48 861.03 284.74 o
2 4 0 399.44 506.02 110.01 o
4 4 0 296.41 268.59 95.19 o
1 5 0 304.58 299.68 86.80 o
1 1 1 561.06 578.18 59.90 o
1 2 1 337.16 370.87 75.88 o
2 2 1 45.68 45.33 44.67 o
1 3 1 43.08 42.10 39.42 o
2 3 1 18.85 42.99 41.55 o
3 3 1 7.23 9.68 58.61 o
1 4 1 156.97 135.95 57.38 o
2 4 1 27.42 25.37 45.83 o
3 4 1 17.52 4.72 49.92 o
4 4 1 21.95 0.00 78.91 o
1 5 1 0.92 0.00 47.45 o
2 5 1 5.03 18.33 46.06 o
0 0 2 58.60 46.00 42.13 o
0 1 2 3251.53 3065.47 767.61 o
1 1 2 1207.43 1046.18 73.25 o
0 2 2 912.52 871.89 238.98 o
1 2 2 441.29 396.31 78.89 o
2 2 2 84.28 110.62 52.79 o
0 3 2 8.15 3.08 32.85 o
1 3 2 656.74 670.67 215.67 o
2 3 2 906.14 978.06 178.30 o
3 3 2 123.01 180.47 76.33 o
0 4 2 107.73 89.50 45.58 o
1 4 2 263.94 263.02 81.57 o
2 4 2 98.45 117.94 48.83 o
3 4 2 138.85 104.57 57.53 o
0 5 2 497.56 462.05 126.14 o
1 5 2 114.77 131.04 58.50 o
2 5 2 16.38 13.89 53.41 o
1 1 3 1176.40 1141.65 82.74 o
1 2 3 6.66 11.84 26.61 o
2 2 3 124.64 116.39 53.65 o
1 3 3 88.38 62.06 41.19 o
2 3 3 1.65 0.00 42.06 o
3 3 3 19.71 7.22 60.72 o
1 4 3 5.84 11.69 41.27 o
2 4 3 68.66 79.21 44.74 o
3 4 3 0.77 17.08 44.20 o
1 5 3 3.48 0.00 48.69 o
2 5 3 0.01 0.00 51.76 o
0 0 4 892.18 920.30 88.63 o
0 1 4 945.71 907.65 133.52 o
1 1 4 237.14 210.73 53.53 o
0 2 4 209.47 219.44 42.19 o
1 2 4 1279.51 1164.33 91.09 o
2 2 4 99.77 81.29 52.20 o
0 3 4 1491.36 1351.59 279.45 o
1 3 4 20.10 10.13 37.33 o
2 3 4 204.78 193.22 49.05 o
3 3 4 158.83 107.53 75.12 o
0 4 4 7.99 0.00 38.70 o
1 4 4 364.23 311.33 62.16 o
2 4 4 1.68 0.00 43.90 o
3 4 4 205.60 234.18 63.24 o
0 5 4 59.84 57.94 48.02 o
1 5 4 42.84 46.17 49.46 o
2 5 4 296.13 268.31 86.06 o
1 1 5 25.68 33.07 45.49 o
1 2 5 169.64 179.84 42.82 o
2 2 5 8.35 21.05 49.00 o
1 3 5 0.30 7.33 38.57 o
2 3 5 12.22 26.68 38.80 o
3 3 5 0.10 0.00 56.07 o
1 4 5 110.73 90.60 48.18 o
2 4 5 3.52 0.00 43.08 o
3 4 5 17.95 4.72 45.76 o
1 5 5 1.64 1.74 47.54 o
0 0 6 79.89 77.27 52.75 o
0 1 6 163.63 173.41 42.99 o
1 1 6 319.96 336.41 73.09 o
0 2 6 1647.60 1656.30 274.41 o
1 2 6 191.70 197.47 49.28 o
2 2 6 212.89 197.14 68.29 o
0 3 6 207.61 194.48 53.40 o
1 3 6 379.66 334.24 57.55 o
2 3 6 41.90 5.09 42.52 o
3 3 6 15.12 36.23 58.37 o
0 4 6 260.07 239.14 66.10 o
1 4 6 58.15 89.94 44.80 o
2 4 6 259.37 228.32 60.59 o
1 1 7 164.99 143.34 72.62 o
1 2 7 34.68 27.70 43.20 o
2 2 7 18.86 58.84 56.85 o
1 3 7 24.28 26.80 39.22 o
2 3 7 1.71 0.00 42.54 o
3 3 7 8.06 0.00 61.11 o
1 4 7 24.70 20.20 46.79 o
2 4 7 15.19 4.06 45.94 o
0 0 8 380.22 421.18 96.75 o
0 1 8 9.08 0.00 44.20 o
1 1 8 587.38 626.17 108.78 o
0 2 8 267.48 255.86 59.11 o
1 2 8 99.71 100.28 49.66 o
2 2 8 185.16 224.47 84.61 o
0 3 8 223.24 235.41 60.28 o
1 3 8 291.44 340.67 64.22 o
2 3 8 0.06 1.32 43.79 o
3 3 8 211.15 219.63 81.33 o
0 4 8 95.21 79.03 57.65 o
1 4 8 21.71 9.83 49.55 o
1 1 9 65.71 73.83 69.50 o
1 2 9 6.43 0.00 44.46 o
2 2 9 13.80 11.48 64.70 o
1 3 9 7.32 0.00 48.48 o
2 3 9 1.42 0.00 47.61 o
0 0 10 267.83 279.80 97.38 o
0 1 10 315.70 325.89 67.47 o
1 1 10 16.51 36.59 61.73 o
0 2 10 1.64 5.67 45.25 o
1 2 10 171.04 157.97 60.02 o
2 2 10 99.85 110.11 80.47 o
0 3 10 85.39 112.97 59.54 o
1 3 10 0.77 4.71 45.65 o
1 1 11 1.00 0.00 74.69 o
1 2 11 13.73 0.00 52.32 o
0 0 12 147.49 197.02 87.89 o
0 1 12 127.73 175.33 64.09 o
1 1 12 29.29 48.81 79.46 o