#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/53/2205376.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_2205376_Fobs
loop_
_publ_author_name
'Smolentsev, Anton I.'
'Naumov, Dmitry Yu.'
_publ_section_title
;
 Ammonium chlorite, NH~4~ClO~2~, at 150K
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i38
_journal_page_last               i40
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.3397
_cell_length_b                   6.3397
_cell_length_c                   3.7560
_exptl_crystal_F_000             88.00
_reflns_d_resolution_high        0.7532
_[local]_cod_data_source_file    wm6052Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     NH4ClO2
_shelx_refln_list_code           4
_shelx_f_calc_maximum            37.49
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'y, -x, -z'
'-x, -y, z'
'-y, x, -z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, 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 0 542.56 587.81 3.02 o
0 2 0 1098.20 1041.65 10.02 o
1 2 0 322.34 341.84 1.94 o
2 2 0 995.68 971.89 6.70 o
1 3 0 7.57 4.70 0.14 o
2 3 0 30.64 27.10 0.37 o
3 3 0 521.38 526.30 4.28 o
0 4 0 106.57 102.77 1.10 o
1 4 0 23.36 21.12 0.30 o
2 4 0 511.01 519.37 3.00 o
3 4 0 3.70 4.37 0.18 o
4 4 0 488.00 501.49 4.23 o
1 5 0 91.93 89.86 0.75 o
2 5 0 83.47 82.56 0.72 o
3 5 0 114.11 114.28 0.88 o
4 5 0 10.10 9.31 0.33 o
5 5 0 59.76 62.12 1.34 o
0 6 0 428.53 424.72 3.69 o
1 6 0 16.28 15.19 0.35 o
2 6 0 176.70 180.79 1.33 o
3 6 0 1.86 1.39 0.25 o
4 6 0 78.38 81.20 0.94 o
5 6 0 12.07 11.53 0.42 o
1 7 0 124.30 124.69 1.08 o
2 7 0 0.22 0.09 0.27 o
3 7 0 5.69 5.54 0.35 o
4 7 0 0.03 0.03 0.34 o
0 8 0 175.82 185.26 2.12 o
1 8 0 10.04 9.36 0.42 o
2 8 0 94.11 98.15 1.22 o
-1 1 1 1405.50 1363.04 10.38 o
0 1 1 88.00 77.33 0.44 o
1 1 1 1398.37 1368.24 10.37 o
-2 2 1 140.62 146.35 1.16 o
-1 2 1 484.78 508.46 2.28 o
0 2 1 1.91 1.37 0.06 o
1 2 1 475.35 500.74 2.38 o
2 2 1 133.67 140.64 1.05 o
-3 3 1 513.17 526.27 4.29 o
-2 3 1 120.01 122.92 0.79 o
-1 3 1 164.40 163.24 1.03 o
0 3 1 473.39 479.95 2.55 o
1 3 1 161.77 159.90 1.02 o
2 3 1 116.96 121.08 0.84 o
3 3 1 512.03 528.91 3.84 o
-4 4 1 102.25 100.01 1.21 o
-3 4 1 31.13 30.84 0.43 o
-2 4 1 78.19 75.98 0.83 o
-1 4 1 275.66 274.58 1.70 o
0 4 1 4.39 4.29 0.16 o
1 4 1 278.56 280.61 1.70 o
2 4 1 80.57 77.60 0.92 o
3 4 1 32.29 31.56 0.40 o
4 4 1 101.75 101.97 1.21 o
-5 5 1 92.24 95.08 1.87 o
-4 5 1 62.70 64.96 0.70 o
-3 5 1 144.05 144.37 1.30 o
-2 5 1 111.03 107.96 0.88 o
-1 5 1 170.34 167.22 1.18 o
0 5 1 107.75 106.58 0.84 o
1 5 1 173.01 168.72 1.18 o
2 5 1 115.04 111.46 0.94 o
3 5 1 145.10 146.31 1.18 o
4 5 1 61.10 61.77 0.90 o
5 5 1 90.52 94.18 1.86 o
-5 6 1 52.44 56.52 1.68 o
-4 6 1 5.01 4.68 0.44 o
-3 6 1 98.18 100.03 1.07 o
-2 6 1 24.56 23.03 0.44 o
-1 6 1 54.59 53.96 0.64 o
0 6 1 83.48 80.13 0.76 o
1 6 1 56.59 56.67 0.62 o
2 6 1 26.34 25.45 0.46 o
3 6 1 98.94 101.58 1.08 o
4 6 1 4.32 3.16 0.39 o
5 6 1 51.12 54.03 1.09 o
-4 7 1 70.96 73.89 1.71 o
-3 7 1 24.43 24.16 0.75 o
-2 7 1 60.20 62.62 1.07 o
-1 7 1 140.71 140.64 1.67 o
0 7 1 14.51 14.12 0.63 o
1 7 1 140.60 138.81 1.66 o
2 7 1 59.76 60.65 1.06 o
3 7 1 24.32 23.71 0.73 o
4 7 1 70.98 73.49 1.15 o
-2 8 1 14.06 13.43 0.75 o
-1 8 1 31.75 31.89 0.90 o
0 8 1 28.80 28.52 0.87 o
1 8 1 30.54 30.57 0.88 o
2 8 1 13.04 12.70 0.70 o
-1 1 2 109.11 111.10 0.96 o
0 1 2 96.25 92.97 0.56 o
1 1 2 109.45 111.25 0.95 o
-2 2 2 146.55 150.14 1.21 o
-1 2 2 343.80 352.75 2.13 o
0 2 2 13.03 10.94 0.19 o
1 2 2 341.33 349.36 2.12 o
2 2 2 147.18 151.36 1.10 o
-3 3 2 5.99 5.03 0.32 o
-2 3 2 159.02 162.98 0.95 o
-1 3 2 53.54 53.86 0.42 o
0 3 2 710.67 721.54 3.39 o
1 3 2 53.64 53.28 0.37 o
2 3 2 158.51 161.58 0.94 o
3 3 2 6.01 5.07 0.32 o
-4 4 2 11.43 11.33 0.62 o
-3 4 2 38.90 37.69 0.71 o
-2 4 2 23.66 21.85 0.48 o
-1 4 2 305.12 305.52 2.15 o
0 4 2 2.30 1.83 0.16 o
1 4 2 306.19 306.45 1.98 o
2 4 2 23.47 22.50 0.59 o
3 4 2 39.22 38.02 0.59 o
4 4 2 11.50 12.43 0.62 o
-5 5 2 27.57 25.11 1.05 o
-4 5 2 88.86 89.31 1.22 o
-3 5 2 16.83 15.07 0.70 o
-2 5 2 130.90 132.15 1.45 o
-1 5 2 43.04 39.58 0.68 o
0 5 2 186.27 185.73 1.82 o
1 5 2 42.86 41.69 0.69 o
2 5 2 132.20 130.44 1.65 o
3 5 2 16.75 15.55 0.45 o
4 5 2 88.19 89.16 1.21 o
5 5 2 27.68 24.53 1.04 o
-4 6 2 3.61 2.79 0.44 o
-3 6 2 156.01 158.71 2.57 o
-2 6 2 15.59 14.59 0.52 o
-1 6 2 62.22 60.34 0.95 o
0 6 2 11.21 10.70 0.45 o
1 6 2 62.69 61.93 1.08 o
2 6 2 15.41 13.50 0.50 o
3 6 2 156.06 155.90 1.77 o
4 6 2 3.69 2.43 0.44 o
-3 7 2 10.86 9.06 0.56 o
-2 7 2 94.91 96.97 1.73 o
-1 7 2 4.08 2.88 0.43 o
0 7 2 20.05 20.19 0.65 o
1 7 2 4.09 3.36 0.43 o
2 7 2 94.56 96.51 1.37 o
3 7 2 10.86 9.51 0.58 o
-1 1 3 98.12 97.84 0.88 o
0 1 3 17.23 17.07 0.20 o
1 1 3 101.79 100.38 0.87 o
-2 2 3 196.17 195.01 2.43 o
-1 2 3 104.64 103.34 0.90 o
0 2 3 159.45 159.41 0.97 o
1 2 3 106.16 104.22 0.69 o
2 2 3 200.23 194.69 2.41 o
-3 3 3 55.20 54.93 1.10 o
-2 3 3 38.53 37.13 0.58 o
-1 3 3 23.33 22.04 0.42 o
0 3 3 193.89 190.60 1.69 o
1 3 3 24.70 24.29 0.43 o
2 3 3 39.32 37.57 0.51 o
3 3 3 55.71 56.61 1.08 o
-4 4 3 124.93 123.83 3.62 o
-3 4 3 8.64 8.07 0.38 o
-2 4 3 136.47 135.77 1.40 o
-1 4 3 108.64 108.64 2.51 o
0 4 3 79.66 79.47 0.94 o
1 4 3 108.23 107.13 1.16 o
2 4 3 134.75 131.26 1.38 o
3 4 3 8.37 7.99 0.37 o
4 4 3 125.49 126.05 3.80 o
-4 5 3 28.13 26.40 0.71 o
-3 5 3 29.97 29.57 0.68 o
-2 5 3 40.33 40.55 0.75 o
-1 5 3 36.60 35.43 1.04 o
0 5 3 48.04 47.50 0.77 o
1 5 3 34.36 34.28 0.66 o
2 5 3 39.38 37.77 0.72 o
3 5 3 29.12 27.37 0.60 o
4 5 3 28.41 26.61 0.71 o
-3 6 3 59.84 60.76 1.34 o
-2 6 3 77.03 77.91 2.02 o
-1 6 3 18.29 16.07 0.55 o
0 6 3 97.13 95.29 1.24 o
1 6 3 17.66 17.18 0.56 o
2 6 3 75.69 75.28 1.12 o
3 6 3 59.51 59.20 0.92 o
-1 1 4 210.35 217.43 3.54 o
1 1 4 211.62 221.31 3.58 o
-2 2 4 61.57 61.71 1.02 o
-1 2 4 11.65 10.88 0.37 o
0 2 4 48.01 46.71 0.53 o
1 2 4 11.40 10.55 0.34 o
2 2 4 63.06 62.91 1.03 o
-3 3 4 188.28 201.42 2.70 o
-2 3 4 4.73 4.04 0.30 o
-1 3 4 89.07 91.69 1.40 o
0 3 4 1.29 0.92 0.23 o
1 3 4 89.41 94.23 0.89 o
2 3 4 4.62 4.14 0.30 o
3 3 4 188.31 197.14 2.91 o
-3 4 4 4.63 3.81 0.39 o
-2 4 4 53.05 55.33 0.84 o
-1 4 4 1.50 1.15 0.30 o
0 4 4 11.96 11.92 0.41 o
1 4 4 1.58 1.30 0.29 o
2 4 4 52.23 54.75 1.15 o
3 4 4 4.67 3.82 0.39 o
0 5 4 0.84 0.27 0.34 o