#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/12/2211226.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_2211226_Fobs
loop_
_publ_author_name
'Komatsu, Kazuki'
'Kuribayashi, Takahiro'
'Sano, Asami'
'Ohtani, Eiji'
'Kudoh, Yasuhiro'
_publ_section_title
;
 Redetermination of the high-pressure modification of AlOOH from
 single-crystal synchrotron data
;
_journal_coeditor_code           WM2048
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i216
_journal_page_last               i218
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.7128
_cell_length_b                   4.2221
_cell_length_c                   2.8315
_exptl_crystal_F_000             60.00
_reflns_d_resolution_high        0.5188
_[local]_cod_data_source_file    wm2048Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' delta-AlOOH 2006/may measured at PF'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            28.07
_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'
'x+1/2, -y, -z+1/2'
'x+1/2, -y, 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 0 135.64 121.96 1.13 o
4 0 0 20.78 21.42 0.12 o
6 0 0 183.67 178.68 2.88 o
8 0 0 36.41 36.76 0.19 o
0 1 0 5.99 8.57 0.36 o
1 1 0 340.22 346.16 23.14 o
2 1 0 342.65 355.41 13.79 o
3 1 0 201.18 180.30 7.70 o
4 1 0 46.64 43.62 1.18 o
5 1 0 95.05 92.86 2.71 o
6 1 0 15.45 15.30 0.27 o
7 1 0 36.92 34.67 0.82 o
8 1 0 21.67 22.70 0.53 o
9 1 0 15.27 15.33 0.61 o
0 2 0 9.89 18.47 0.69 o
1 2 0 29.75 27.88 0.46 o
2 2 0 378.80 372.33 7.32 o
3 2 0 18.49 17.97 0.11 o
4 2 0 311.47 306.43 2.37 o
5 2 0 7.88 8.25 0.12 o
6 2 0 4.73 4.70 0.11 o
7 2 0 2.71 2.75 0.04 o
8 2 0 11.93 12.79 0.43 o
0 3 0 36.21 36.75 1.28 o
1 3 0 155.33 151.30 0.78 o
2 3 0 146.78 146.28 2.86 o
3 3 0 101.86 102.85 1.26 o
4 3 0 36.02 36.76 0.43 o
5 3 0 50.51 50.60 0.83 o
6 3 0 13.75 14.58 0.20 o
7 3 0 22.97 23.77 0.16 o
8 3 0 29.28 28.97 0.48 o
0 4 0 346.45 342.71 8.44 o
1 4 0 44.84 44.70 0.33 o
2 4 0 32.03 32.22 0.51 o
3 4 0 27.06 28.24 0.39 o
4 4 0 2.55 2.48 0.06 o
5 4 0 14.77 15.19 0.29 o
6 4 0 82.36 82.34 0.47 o
7 4 0 8.34 8.21 0.03 o
0 5 0 37.42 38.90 0.52 o
1 5 0 38.78 40.14 0.35 o
2 5 0 67.78 68.06 0.68 o
3 5 0 29.09 29.03 0.31 o
4 5 0 39.22 40.29 0.34 o
5 5 0 16.84 17.23 1.79 o
6 5 0 21.96 22.19 0.24 o
7 5 0 7.87 7.41 0.34 o
0 6 0 3.66 3.50 0.13 o
1 6 0 26.57 26.77 0.17 o
2 6 0 32.52 32.19 0.33 o
3 6 0 23.76 23.88 0.31 o
4 6 0 51.40 49.83 0.44 o
5 6 0 14.29 14.14 0.09 o
6 6 0 2.39 2.34 0.04 o
0 7 0 22.00 22.40 0.28 o
1 7 0 6.26 6.32 0.09 o
2 7 0 44.43 42.19 0.61 o
3 7 0 4.52 5.13 0.34 o
4 7 0 18.45 18.18 0.30 o
0 8 0 34.81 35.07 1.22 o
1 8 0 15.93 15.25 0.32 o
1 0 1 20.54 15.60 0.45 o
3 0 1 684.96 666.15 27.65 o
5 0 1 82.99 79.50 1.95 o
7 0 1 3.17 3.06 0.07 o
0 1 1 343.23 365.12 10.04 o
1 1 1 276.66 292.67 4.89 o
2 1 1 246.70 244.49 2.26 o
3 1 1 18.74 18.07 0.31 o
4 1 1 126.82 126.86 1.64 o
5 1 1 53.29 53.23 0.61 o
6 1 1 53.99 52.13 0.67 o
7 1 1 6.17 6.43 0.14 o
8 1 1 22.02 21.42 0.23 o
0 2 1 20.19 21.73 0.14 o
1 2 1 535.53 547.44 4.63 o
2 2 1 15.82 16.22 0.11 o
3 2 1 4.22 4.43 0.10 o
4 2 1 9.02 8.62 0.06 o
5 2 1 73.57 72.49 0.67 o
6 2 1 4.68 4.86 0.06 o
7 2 1 102.18 100.31 0.55 o
8 2 1 2.07 2.14 0.04 o
0 3 1 136.96 137.69 2.58 o
1 3 1 113.37 113.74 0.57 o
2 3 1 113.98 114.54 0.91 o
3 3 1 25.69 26.36 0.28 o
4 3 1 67.63 67.40 0.54 o
5 3 1 60.93 60.85 0.56 o
6 3 1 30.80 32.36 0.35 o
7 3 1 6.63 6.45 0.05 o
8 3 1 13.43 14.60 0.29 o
0 4 1 34.38 34.11 0.32 o
1 4 1 13.80 14.15 0.10 o
2 4 1 31.91 31.90 0.20 o
3 4 1 197.06 196.90 1.74 o
4 4 1 21.25 21.00 0.11 o
5 4 1 24.57 24.64 0.14 o
6 4 1 9.19 9.39 0.06 o
7 4 1 1.71 1.65 0.04 o
0 5 1 36.75 36.47 0.59 o
1 5 1 66.54 66.50 0.50 o
2 5 1 30.90 31.42 0.25 o
3 5 1 28.71 28.82 0.22 o
4 5 1 19.14 19.59 0.13 o
5 5 1 33.77 34.31 1.48 o
6 5 1 11.19 11.27 0.12 o
0 6 1 29.64 29.60 0.32 o
1 6 1 51.63 52.69 0.27 o
2 6 1 23.14 22.92 0.21 o
3 6 1 3.38 3.17 0.10 o
4 6 1 14.32 14.16 0.13 o
5 6 1 8.72 9.18 0.11 o
0 7 1 5.31 5.44 0.11 o
1 7 1 34.15 34.21 0.26 o
2 7 1 5.07 4.96 0.09 o
3 7 1 16.36 15.52 0.27 o
4 7 1 4.16 4.15 0.05 o
0 8 1 12.17 11.74 0.23 o
0 0 2 787.98 811.70 13.55 o
2 0 2 89.21 87.33 0.82 o
4 0 2 15.37 15.18 0.30 o
6 0 2 130.16 128.66 1.91 o
8 0 2 28.18 27.13 1.34 o
0 1 2 4.06 4.18 0.05 o
1 1 2 172.22 172.32 1.26 o
2 1 2 101.69 98.61 0.68 o
3 1 2 119.79 120.67 1.33 o
4 1 2 26.18 25.40 0.34 o
5 1 2 60.95 59.13 0.63 o
6 1 2 11.72 12.02 0.24 o
7 1 2 26.49 27.59 0.62 o
8 1 2 18.54 18.81 0.41 o
0 2 2 1.93 2.37 0.09 o
1 2 2 14.36 14.42 0.10 o
2 2 2 197.04 203.24 0.60 o
3 2 2 10.59 10.74 0.10 o
4 2 2 192.09 183.00 3.80 o
5 2 2 5.15 5.16 0.06 o
6 2 2 2.56 2.61 0.07 o
7 2 2 1.97 2.02 0.04 o
8 2 2 9.00 8.77 0.21 o
0 3 2 22.42 22.77 0.31 o
1 3 2 91.74 94.21 0.78 o
2 3 2 79.84 77.38 1.31 o
3 3 2 63.23 63.58 0.71 o
4 3 2 24.08 25.23 0.26 o
5 3 2 33.97 34.18 0.37 o
6 3 2 10.41 10.54 0.11 o
7 3 2 17.23 17.24 0.15 o
0 4 2 211.05 215.35 1.70 o
1 4 2 27.60 27.55 0.21 o
2 4 2 20.23 20.02 0.19 o
3 4 2 17.44 17.51 0.14 o
4 4 2 1.28 1.25 0.03 o
5 4 2 10.33 10.75 0.13 o
6 4 2 64.72 64.62 0.45 o
7 4 2 6.50 6.36 0.14 o
0 5 2 24.87 24.76 0.27 o
1 5 2 25.41 25.80 0.17 o
2 5 2 48.55 49.02 0.40 o
3 5 2 19.95 19.95 0.14 o
4 5 2 29.33 29.44 0.27 o
5 5 2 12.44 12.74 0.62 o
6 5 2 17.72 19.48 0.50 o
0 6 2 3.83 4.10 0.06 o
1 6 2 18.64 18.59 0.18 o
2 6 2 24.38 24.55 0.31 o
3 6 2 17.45 17.01 0.14 o
4 6 2 41.31 41.80 0.33 o
5 6 2 11.11 11.04 0.22 o
0 7 2 16.37 17.01 0.53 o
1 7 2 4.73 4.93 0.10 o
2 7 2 36.06 34.70 0.23 o
3 7 2 3.49 3.43 0.05 o
1 0 3 29.71 28.72 0.36 o
3 0 3 227.36 221.70 3.21 o
5 0 3 36.10 34.56 0.87 o
7 0 3 1.52 1.54 0.04 o
0 1 3 100.67 101.72 0.72 o
1 1 3 43.27 43.61 0.17 o
2 1 3 83.98 85.37 0.59 o
3 1 3 5.94 5.78 0.06 o
4 1 3 51.42 53.45 0.62 o
5 1 3 29.62 30.34 0.38 o
6 1 3 26.73 26.86 0.31 o
7 1 3 4.11 3.78 0.16 o
0 2 3 8.28 7.94 0.15 o
1 2 3 164.41 163.14 0.83 o
2 2 3 6.50 6.46 0.08 o
3 2 3 2.10 1.90 0.06 o
4 2 3 3.85 3.98 0.08 o
5 2 3 34.52 33.34 0.55 o
6 2 3 2.41 2.53 0.04 o
7 2 3 65.17 61.62 1.65 o
0 3 3 52.80 52.45 0.44 o
1 3 3 40.08 38.70 0.75 o
2 3 3 45.68 47.05 0.80 o
3 3 3 10.66 10.66 0.17 o
4 3 3 30.53 29.85 0.34 o
5 3 3 36.48 39.28 0.71 o
6 3 3 16.58 16.66 0.16 o
0 4 3 14.58 13.88 0.46 o
1 4 3 4.70 4.55 0.09 o
2 4 3 14.07 13.92 0.13 o
3 4 3 101.47 102.00 0.55 o
4 4 3 10.54 10.55 0.10 o
5 4 3 12.69 12.96 0.64 o
6 4 3 5.25 5.64 0.17 o
0 5 3 17.39 18.58 0.59 o
1 5 3 35.56 35.42 0.42 o
2 5 3 15.09 15.17 0.13 o
3 5 3 15.43 15.28 0.21 o
4 5 3 10.25 9.80 0.18 o
5 5 3 22.96 21.19 0.53 o
0 6 3 15.85 15.17 0.46 o
1 6 3 31.11 32.86 0.59 o
2 6 3 12.60 12.50 0.10 o
3 6 3 3.46 3.54 0.05 o
0 0 4 171.22 170.91 8.64 o
2 0 4 22.48 23.40 0.76 o
4 0 4 2.76 3.02 0.09 o
6 0 4 62.58 63.29 1.61 o
0 1 4 1.35 1.31 0.02 o
1 1 4 45.18 44.18 2.15 o
2 1 4 28.51 29.72 0.38 o
3 1 4 34.83 36.10 0.65 o
4 1 4 11.39 11.47 0.23 o
5 1 4 21.97 21.74 0.32 o
6 1 4 6.71 6.89 0.14 o
0 2 4 0.30 0.30 0.03 o
1 2 4 3.60 3.72 0.06 o
2 2 4 57.92 58.01 0.64 o
3 2 4 3.18 3.02 0.10 o
4 2 4 75.27 75.99 0.94 o
5 2 4 1.96 2.02 0.03 o
0 3 4 6.41 6.38 0.11 o
1 3 4 27.15 28.15 0.41 o
2 3 4 31.90 32.88 0.47 o
3 3 4 20.91 20.90 0.27 o
4 3 4 11.43 11.01 0.22 o
5 3 4 13.81 13.17 0.21 o
0 4 4 84.75 88.65 2.34 o
1 4 4 9.27 9.04 0.19 o
2 4 4 5.67 5.60 0.14 o
3 4 4 6.36 6.41 0.08 o
4 4 4 0.34 0.42 0.04 o
0 5 4 9.92 9.70 0.12 o
1 5 4 9.76 9.44 0.13 o
2 5 4 24.69 23.76 0.36 o
1 0 5 4.46 4.51 0.11 o
3 0 5 75.69 75.22 1.53 o
0 1 5 22.97 23.92 0.73 o
1 1 5 15.45 15.15 0.37 o
2 1 5 20.65 21.78 0.47 o
3 1 5 2.35 2.48 0.06 o
0 2 5 2.15 2.36 0.12 o
1 2 5 48.95 48.61 0.48 o
2 2 5 1.75 1.76 0.05 o
0 3 5 14.44 13.47 0.14 o
1 3 5 16.25 15.31 0.13 o