#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/35/2013551.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_2013551_Fobs
loop_
_publ_author_name
'Brogan, Michael A.'
'Blake, Alexander J.'
'Wilson, Claire'
'Gregory, Duncan H.'
_publ_section_title
;
 Magnesium diiodide, MgI~2~
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i136
_journal_page_last               i138
_journal_volume                  59
_journal_year                    2003
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   4.1537
_cell_length_b                   4.1537
_cell_length_c                   6.8620
_exptl_crystal_F_000             118.00
_reflns_d_resolution_high        0.7742
_[local]_cod_data_source_file    bc1028Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' mgiini'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            83.00
_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-y, z'
'-x+y, -x, z'
'y, x, -z'
'-x, -x+y, -z'
'x-y, -y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'x, x-y, z'
'-x+y, y, 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
0 1 0 1276.12 1337.27 22.76 o
-1 2 0 6889.19 7342.86 102.13 o
0 2 0 768.45 802.41 17.91 o
-1 3 0 554.64 569.94 7.74 o
0 3 0 3451.77 3274.19 35.99 o
-2 4 0 2618.35 2533.14 40.93 o
-1 4 0 334.07 341.17 8.37 o
0 4 0 268.27 265.68 9.10 o
-2 5 0 219.01 212.95 6.86 o
-1 5 0 1299.30 1283.56 21.88 o
0 0 1 248.55 205.88 4.43 o
-1 1 1 6867.36 7275.88 37.01 o
0 1 1 4716.11 4547.91 34.96 o
-2 2 1 2909.96 2953.02 23.79 o
-1 2 1 124.75 132.28 2.59 o
0 2 1 4218.10 4253.91 51.54 o
-3 3 1 58.48 55.60 3.94 o
-2 3 1 2992.46 3073.46 40.60 o
-1 3 1 2098.71 2222.28 25.26 o
0 3 1 58.48 60.29 3.27 o
-4 4 1 1335.77 1339.67 21.64 o
-3 4 1 1244.73 1189.71 15.81 o
-2 4 1 42.24 46.53 2.89 o
-1 4 1 1706.23 1605.45 22.48 o
0 4 1 992.04 981.19 20.06 o
-4 5 1 18.31 25.93 6.41 o
-3 5 1 1065.35 999.17 17.37 o
-2 5 1 804.26 759.08 13.55 o
-1 5 1 18.31 24.60 4.71 o
0 0 2 6279.46 5878.83 49.68 o
-1 1 2 3008.79 3295.53 20.01 o
0 1 2 1734.61 1659.20 14.60 o
-2 2 2 1131.82 1147.73 12.80 o
-1 2 2 3806.65 3780.85 25.23 o
0 2 2 1965.69 1833.67 21.95 o
-3 3 2 2065.83 2120.69 29.43 o
-2 3 2 1414.23 1441.01 15.04 o
-1 3 2 811.33 772.74 9.59 o
0 3 2 2065.82 2083.26 22.06 o
-4 4 2 638.22 635.54 12.92 o
-3 4 2 462.90 446.08 9.35 o
-2 4 2 1608.70 1610.86 20.71 o
-1 4 2 813.32 845.34 14.58 o
0 4 2 361.93 349.59 12.45 o
-3 5 2 509.95 495.77 10.52 o
-2 5 2 288.22 274.17 9.54 o
0 0 3 9.91 20.22 2.99 o
-1 1 3 2392.75 2539.11 21.81 o
0 1 3 5410.33 5506.64 34.80 o
-2 2 3 3757.82 3969.08 30.95 o
-1 2 3 7.24 8.37 1.40 o
0 2 3 1684.93 1681.85 19.89 o
-3 3 3 5.72 4.62 2.12 o
-2 3 3 1268.55 1340.44 15.04 o
-1 3 3 2773.00 2741.08 25.86 o
0 3 3 5.72 5.04 2.64 o
-4 4 3 632.09 668.63 15.07 o
-3 4 3 1645.63 1675.55 22.60 o
-2 4 3 5.17 8.02 2.33 o
-1 4 3 782.24 824.68 14.76 o
0 4 3 1307.45 1411.32 27.68 o
-3 5 3 518.50 466.11 14.83 o
-2 5 3 1056.10 1111.45 21.27 o
0 0 4 5141.83 5367.25 81.53 o
-1 1 4 1214.98 1182.65 14.51 o
0 1 4 206.70 203.53 4.36 o
-2 2 4 156.33 160.22 5.55 o
-1 2 4 3662.89 3667.58 30.67 o
0 2 4 901.29 886.27 13.57 o
-3 3 4 2099.93 2152.90 32.14 o
-2 3 4 695.16 675.79 9.28 o
-1 3 4 123.03 119.55 4.50 o
0 3 4 2099.92 2184.81 32.44 o
-4 4 4 361.33 373.33 12.92 o
-3 4 4 81.01 87.48 4.24 o
-2 4 4 1647.66 1560.39 24.91 o
-1 4 4 441.93 437.63 10.40 o
0 4 4 67.23 81.37 8.19 o
0 0 5 347.54 350.36 9.35 o
-1 1 5 1938.32 1674.81 28.66 o
0 1 5 2198.25 2027.97 41.00 o
-2 2 5 1677.58 1673.34 25.40 o
-1 2 5 253.67 251.78 4.94 o
0 2 5 1451.63 1530.07 30.32 o
-3 3 5 146.86 157.17 8.56 o
-2 3 5 1116.42 1107.62 15.67 o
-1 3 5 1313.50 1333.38 16.05 o
0 3 5 146.86 145.48 9.96 o
-3 4 5 851.87 862.30 13.39 o
-2 4 5 115.34 123.47 5.25 o
-1 4 5 701.52 735.01 16.14 o
0 0 6 1769.37 1834.61 23.62 o
-1 1 6 1379.71 1288.92 18.24 o
0 1 6 216.67 211.39 7.67 o
-2 2 6 164.45 158.52 6.55 o
-1 2 6 1374.58 1302.31 16.09 o
0 2 6 1061.63 1073.34 24.77 o
-3 3 6 880.99 896.35 19.47 o
-2 3 6 834.35 820.11 14.58 o
-1 3 6 127.59 140.37 6.65 o
0 3 6 880.99 908.20 23.69 o
0 0 7 101.14 94.06 10.08 o
-1 1 7 502.01 514.57 11.50 o
0 1 7 1675.91 1710.81 38.29 o
-2 2 7 1324.92 1250.63 21.06 o
-1 2 7 82.01 78.64 5.08 o
0 2 7 403.56 421.24 13.55 o
-2 3 7 329.60 319.16 8.77 o
-1 3 7 1065.75 1109.44 16.70 o
0 0 8 1112.62 1100.02 32.37 o
-1 1 8 535.83 495.82 23.69 o
0 1 8 5.80 5.76 4.15 o
-2 2 8 5.05 4.78 10.61 o
-1 2 8 895.55 958.57 14.69 o
0 2 8 438.99 435.14 17.07 o