#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2211527.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_2211527_Fobs
loop_
_publ_author_name
'Ko\'nczyk, Joanna'
'Marciniak, Bernard'
'Demchenko, Pavlo'
'Bodak, Oksana'
'Pavlyuk, Volodymyr'
_publ_section_title
;
 Erbium dinickel disilicide, ErNi~2~Si~2~
;
_journal_coeditor_code           MG2006
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i236
_journal_page_last               i237
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.9431
_cell_length_b                   3.9431
_cell_length_c                   9.5430
_exptl_crystal_F_000             304.00
_reflns_d_resolution_high        0.6691
_[local]_cod_data_source_file    mg2006Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' erni2si2 in I4/mmm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            219.78
_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'
'-y, x, z'
'y, -x, z'
'-x, y, -z'
'x, -y, -z'
'y, x, -z'
'-y, -x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, z'
'-y, -x, z'
'y, x, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, 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
1 1 0 4163.72 4214.06 55.04 o
0 2 0 48301.80 45276.35 425.50 o
2 2 0 33713.30 31062.12 355.50 o
1 3 0 2729.50 2742.71 22.63 o
3 3 0 2103.52 2149.30 41.70 o
0 4 0 19824.64 19387.21 168.98 o
2 4 0 15984.08 15589.71 117.52 o
4 4 0 9354.08 9136.72 47.38 o
1 5 0 1620.14 1652.33 38.98 o
3 5 0 1243.81 1157.09 26.72 o
0 1 1 8246.77 8321.48 44.56 o
1 2 1 5909.15 6016.70 38.85 o
0 3 1 4428.98 4487.59 31.95 o
2 3 1 3536.55 3607.41 18.43 o
1 4 1 2946.78 2954.90 17.69 o
3 4 1 2191.46 2148.71 16.72 o
0 5 1 2191.46 2171.56 13.22 o
2 5 1 1926.85 1954.48 28.83 o
0 0 2 519.49 713.50 26.89 o
1 1 2 39343.55 39148.42 336.59 o
0 2 2 614.11 690.97 12.58 o
2 2 2 615.55 664.39 7.28 o
1 3 2 19361.66 19255.28 104.27 o
3 3 2 12011.42 12239.54 76.39 o
0 4 2 604.53 609.89 7.76 o
2 4 2 582.27 593.71 5.13 o
4 4 2 473.70 450.45 21.05 o
1 5 2 8297.39 8248.43 85.47 o
3 5 2 6099.34 6189.67 68.91 o
0 1 3 19491.12 19664.97 489.43 o
1 2 3 13511.22 13587.92 80.57 o
0 3 3 10303.24 10498.00 127.39 o
2 3 3 8226.97 8425.48 59.19 o
1 4 3 6752.51 6682.90 41.39 o
3 4 3 4782.21 4812.49 25.12 o
0 5 3 4782.21 4718.44 68.80 o
2 5 3 4094.64 4056.53 53.27 o
0 0 4 25546.53 24334.83 272.63 o
1 1 4 105.90 161.35 8.86 o
0 2 4 17250.64 17673.71 92.93 o
2 2 4 12556.92 12722.04 160.60 o
1 3 4 25.43 61.05 4.00 o
3 3 4 39.70 55.32 7.04 o
0 4 4 7829.44 8727.64 315.46 o
2 4 4 6502.23 6520.81 55.37 o
4 4 4 4151.74 3869.24 36.38 o
1 5 4 63.23 62.11 5.52 o
0 1 5 14546.33 14894.41 195.56 o
1 2 5 10854.17 10963.40 171.03 o
0 3 5 8565.73 8834.57 98.10 o
2 3 5 6980.33 7104.71 56.95 o
1 4 5 5807.36 5926.53 95.70 o
3 4 5 4186.21 4191.48 53.54 o
0 5 5 4186.21 4273.93 97.73 o
2 5 5 3608.18 3826.78 40.51 o
0 0 6 646.34 744.01 22.48 o
1 1 6 23165.39 22210.35 276.47 o
0 2 6 641.95 672.33 25.17 o
2 2 6 633.55 630.18 9.51 o
1 3 6 13625.67 14034.30 141.67 o
3 3 6 9155.69 9168.45 196.34 o
0 4 6 584.82 596.39 30.67 o
2 4 6 547.81 523.68 13.48 o
1 5 6 6612.42 6774.78 184.82 o
0 1 7 4091.72 4045.36 77.43 o
1 2 7 3277.24 3454.88 27.98 o
0 3 7 2737.33 2747.99 20.75 o
2 3 7 2345.84 2463.11 21.54 o
1 4 7 2043.09 2158.38 57.54 o
3 4 7 1597.00 1550.93 82.93 o
0 5 7 1597.00 1481.35 36.34 o
0 0 8 25910.69 25452.65 460.39 o
1 1 8 2330.69 2229.77 25.02 o
0 2 8 20098.57 20063.49 464.84 o
2 2 8 16093.14 16462.27 340.66 o
1 3 8 1802.47 1828.90 21.38 o
3 3 8 1385.88 1335.09 24.33 o
0 4 8 10992.30 11338.90 134.04 o
2 4 8 9296.91 9706.77 110.67 o
0 1 9 3105.36 3082.91 20.58 o
1 2 9 2618.12 2516.17 48.64 o
0 3 9 2254.98 2268.78 64.96 o
2 3 9 1969.31 2020.39 29.27 o
1 4 9 1736.74 1735.47 23.33 o
0 0 10 500.81 483.32 17.01 o
1 1 10 10763.05 10989.88 103.57 o
0 2 10 486.32 476.76 14.81 o
2 2 10 462.76 434.18 16.99 o
1 3 10 7465.66 7655.74 131.38 o
0 4 10 401.47 345.48 16.77 o
0 1 11 5425.10 5268.51 47.73 o
1 2 11 4581.75 4463.33 41.83 o
0 3 11 3912.60 3949.87 109.42 o
2 3 11 3372.40 2778.62 268.11 o
0 0 12 5418.56 5439.77 42.29 o
1 1 12 45.24 71.58 7.92 o
0 2 12 4633.10 4728.79 103.28 o
2 2 12 4019.00 3830.71 42.04 o
1 3 12 59.58 29.02 5.94 o
0 1 13 3590.46 3532.25 69.22 o
1 2 13 3099.37 2984.09 22.04 o
0 0 14 416.30 547.54 19.17 o