#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/68/2216822.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_2216822_Fobs
loop_
_publ_author_name
'Zimmermann, Sina'
'Meyer, Gerd'
_publ_section_title
;
 Lutetium(III) oxide iodide
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i193
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.8585
_cell_length_b                   3.8585
_cell_length_c                   9.1890
_exptl_crystal_F_000             264.00
_reflns_d_resolution_high        0.7610
_[local]_cod_data_source_file    wm2159Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' TM222  STOE IPDS MEASUREMENT     P4/nmm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            188.20
_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'
'-x+1/2, -y+1/2, z'
'y, -x+1/2, z'
'x+1/2, -y, -z'
'y+1/2, x+1/2, -z'
'-x, y+1/2, -z'
'-y, -x, -z'
'-x, -y, -z'
'y-1/2, -x, -z'
'x-1/2, y-1/2, -z'
'-y, x-1/2, -z'
'-x-1/2, y, z'
'-y-1/2, -x-1/2, z'
'x, -y-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 35418.28 36571.74 1195.32 o
0 2 0 33428.80 30991.39 2963.23 o
2 2 0 21208.84 19885.14 586.91 o
1 3 0 14837.55 14595.58 394.02 o
3 3 0 7723.00 7674.85 136.49 o
0 4 0 10427.78 10691.81 758.02 o
2 4 0 7713.41 7650.86 124.01 o
0 1 1 30.84 40.74 15.17 o
1 1 1 1761.31 1712.39 37.43 o
0 2 1 3320.62 3501.11 37.94 o
1 2 1 107.56 118.67 8.41 o
2 2 1 2315.82 2310.10 69.94 o
0 3 1 138.79 138.57 14.45 o
1 3 1 1200.09 1256.03 15.31 o
2 3 1 157.75 161.06 8.65 o
3 3 1 818.30 840.27 21.47 o
0 4 1 1375.01 1505.91 39.87 o
1 4 1 168.75 166.06 9.58 o
2 4 1 1114.57 1119.82 15.88 o
3 4 1 168.34 118.71 13.44 o
0 5 1 168.34 133.14 21.31 o
0 0 2 951.47 1047.23 72.48 o
0 1 2 33669.17 34194.02 191.93 o
1 1 2 2063.88 2038.32 37.19 o
0 2 2 457.03 436.54 13.41 o
1 2 2 20193.73 19951.59 190.66 o
2 2 2 275.09 253.31 11.41 o
0 3 2 13583.39 13830.68 202.66 o
1 3 2 591.89 587.59 10.78 o
2 3 2 9638.24 9122.15 139.84 o
3 3 2 233.43 235.82 17.68 o
0 4 2 100.78 115.53 14.81 o
1 4 2 7079.49 6791.44 192.32 o
2 4 2 60.46 56.74 10.86 o
3 4 2 4086.34 2990.04 59.88 o
0 5 2 4086.35 3060.49 197.97 o
0 0 3 631.53 685.00 44.70 o
0 1 3 11789.47 11603.95 200.78 o
1 1 3 13.55 15.60 10.91 o
0 2 3 135.23 128.77 11.05 o
1 2 3 7584.71 7445.27 128.12 o
2 2 3 37.17 29.06 13.12 o
0 3 3 5297.86 5403.10 124.68 o
1 3 3 43.83 43.32 8.75 o
2 3 3 3879.52 4033.61 31.44 o
3 3 3 73.54 82.38 16.67 o
0 4 3 10.49 13.69 13.74 o
1 4 3 2930.33 3152.19 38.42 o
2 4 3 16.11 3.84 12.52 o
0 0 4 12250.05 11171.62 467.94 o
0 1 4 1961.59 2101.84 43.11 o
1 1 4 13244.42 12502.04 775.86 o
0 2 4 8268.23 8287.15 208.21 o
1 2 4 1056.79 1033.77 33.40 o
2 2 4 5922.21 5967.81 127.25 o
0 3 4 616.80 647.84 12.71 o
1 3 4 6308.72 6121.12 174.06 o
2 3 4 369.98 392.43 10.62 o
3 3 4 3601.11 3693.44 86.79 o
0 4 4 3358.48 3631.01 79.80 o
1 4 4 225.96 242.39 10.92 o
2 4 4 2608.32 2753.68 40.09 o
0 0 5 16290.71 14267.16 226.08 o
0 1 5 64.92 46.20 14.61 o
1 1 5 16205.07 15268.05 966.04 o
0 2 5 10814.23 11080.00 149.66 o
1 2 5 77.02 78.13 9.70 o
2 2 5 7586.47 7363.85 312.72 o
0 3 5 83.68 86.35 12.52 o
1 3 5 7653.83 8217.62 123.82 o
2 3 5 86.82 92.50 10.20 o
3 3 5 4211.06 4625.49 121.08 o
0 4 5 4098.61 4348.02 195.19 o
1 4 5 86.52 94.00 11.91 o
2 4 5 3107.95 3286.67 48.90 o
0 0 6 815.80 790.87 24.69 o
0 1 6 2754.06 2634.39 165.73 o
1 1 6 190.93 189.96 10.78 o
0 2 6 424.34 468.05 36.03 o
1 2 6 2104.96 2351.20 51.61 o
2 2 6 231.91 241.67 13.82 o
0 3 6 1670.82 1830.89 109.67 o
1 3 6 46.09 47.66 11.36 o
2 3 6 1355.95 1466.92 61.02 o
3 3 6 7.85 6.81 20.53 o
0 4 6 73.61 73.81 17.96 o
1 4 6 1114.38 1246.38 27.15 o
0 0 7 1185.44 1023.55 34.28 o
0 1 7 12220.17 8879.96 1235.97 o
1 1 7 535.56 526.17 34.80 o
0 2 7 837.45 841.69 60.12 o
1 2 7 8551.63 8954.18 481.52 o
2 2 7 622.67 685.73 33.53 o
0 3 7 6197.36 6777.87 231.99 o
1 3 7 317.85 381.49 11.61 o
2 3 7 4606.42 5316.75 214.64 o
0 4 7 375.40 379.90 25.23 o
1 4 7 3490.50 3051.24 52.38 o
0 0 8 559.81 461.20 20.22 o
0 1 8 112.55 114.72 10.50 o
1 1 8 271.08 241.18 19.68 o
0 2 8 502.64 573.25 25.00 o
1 2 8 102.94 117.63 8.96 o
2 2 8 455.77 531.44 38.79 o
0 3 8 93.70 109.70 14.86 o
1 3 8 262.38 300.27 11.57 o
2 3 8 84.50 77.18 13.48 o
0 0 9 6540.39 6140.92 117.05 o
0 1 9 1282.60 1239.85 29.54 o
1 1 9 4788.24 4279.46 113.68 o
0 2 9 4788.93 4429.48 333.61 o
1 2 9 914.17 945.33 51.86 o
2 2 9 3597.39 4344.95 218.44 o
0 3 9 667.14 731.21 58.77 o
1 3 9 2701.59 2922.79 240.39 o
0 0 10 1149.63 1233.41 152.01 o
0 1 10 133.59 132.23 10.98 o
1 1 10 734.71 762.09 21.23 o
0 2 10 869.38 881.62 72.69 o
1 2 10 137.25 123.13 9.75 o
2 2 10 670.92 536.40 32.75 o
0 0 11 766.15 797.62 24.77 o
0 1 11 1648.15 1801.24 40.65 o
1 1 11 846.34 902.20 20.13 o
0 2 11 546.38 439.99 14.52 o
0 0 12 148.38 67.42 43.54 o