#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/22/32/2223219.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_2223219_Fobs
loop_
_publ_author_name
'Lam, Robert'
'Mar, Arthur'
_publ_section_title
;
 Titanium germanium antimonide, TiGeSb
;
_journal_coeditor_code           WM2247
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i68
_journal_volume                  65
_journal_year                    2009
_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                   3.7022
_cell_length_b                   3.7022
_cell_length_c                   8.2137
_exptl_crystal_F_000             210.00
_reflns_d_resolution_high        0.6228
_[local]_cod_data_source_file    wm2247Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' TiGeSb P4/nmm LSF final refinement'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            143.19
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y+1/2, x, z'
'y, -x+1/2, z'
'-x, y+1/2, -z'
'x+1/2, -y, -z'
'y+1/2, x+1/2, -z'
'-y, -x, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y-1/2, -x, -z'
'-y, x-1/2, -z'
'x, -y-1/2, z'
'-x-1/2, y, z'
'-y-1/2, -x-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 3848.54 3954.34 146.86 o
0 2 0 20503.45 17957.18 2323.36 o
2 2 0 13547.45 13214.54 1495.61 o
1 3 0 1558.03 1717.65 23.78 o
3 3 0 975.19 909.34 33.82 o
0 4 0 7371.58 7556.55 531.02 o
2 4 0 5803.52 6165.60 142.16 o
4 4 0 3282.75 3036.70 271.20 o
1 5 0 729.68 749.78 35.28 o
3 5 0 584.16 567.72 27.41 o
0 0 1 110.12 114.53 11.69 o
0 1 1 471.79 402.16 41.57 o
1 1 1 11984.69 11295.88 667.71 o
0 2 1 58.41 59.52 3.08 o
1 2 1 342.89 363.73 7.89 o
2 2 1 44.00 46.70 2.93 o
0 3 1 270.96 244.29 14.49 o
1 3 1 5325.19 5364.18 191.47 o
2 3 1 213.95 208.40 7.94 o
3 3 1 3044.05 2924.31 136.79 o
0 4 1 37.88 39.04 3.74 o
1 4 1 169.69 189.17 4.65 o
2 4 1 38.09 34.79 2.40 o
3 4 1 111.77 108.80 4.47 o
4 4 1 40.10 34.55 4.44 o
0 5 1 111.77 131.40 6.51 o
1 5 1 1961.71 2245.42 17.45 o
2 5 1 93.28 101.02 4.49 o
3 5 1 1365.22 1351.08 43.38 o
0 0 2 925.86 788.71 28.98 o
0 1 2 6650.60 7091.65 323.23 o
1 1 2 4870.73 4968.81 257.76 o
0 2 2 623.39 542.12 41.05 o
1 2 2 4092.22 3923.59 151.94 o
2 2 2 462.43 435.54 27.63 o
0 3 2 2894.05 3244.36 61.86 o
1 3 2 2046.41 2263.05 46.02 o
2 3 2 2176.82 2079.70 63.87 o
3 3 2 1136.24 1096.82 53.78 o
0 4 2 248.59 259.77 12.17 o
1 4 2 1709.65 1747.83 55.26 o
2 4 2 182.41 185.67 6.84 o
3 4 2 1155.61 1103.91 43.44 o
4 4 2 77.90 79.50 6.45 o
0 5 2 1155.61 1109.76 70.85 o
1 5 2 720.24 758.97 28.70 o
2 5 2 980.53 965.72 34.32 o
3 5 2 492.35 505.03 21.44 o
0 0 3 9525.24 10154.97 324.52 o
0 1 3 8537.13 7107.23 372.06 o
1 1 3 34.41 33.91 2.88 o
0 2 3 5885.32 6462.45 153.64 o
1 2 3 5331.74 5369.88 175.00 o
2 2 3 4113.46 3890.64 185.62 o
0 3 3 3755.46 3760.96 146.17 o
1 3 3 12.47 15.94 1.75 o
2 3 3 2832.65 2547.24 104.59 o
3 3 3 3.78 7.14 2.65 o
0 4 3 2320.17 2519.50 60.31 o
1 4 3 2242.36 2387.08 52.34 o
2 4 3 1828.64 1763.59 62.63 o
3 4 3 1543.94 1450.04 50.96 o
4 4 3 1015.41 908.77 48.62 o
0 5 3 1543.94 1762.21 33.31 o
1 5 3 1.98 9.91 2.44 o
2 5 3 1319.68 1400.30 32.22 o
0 0 4 31.67 40.72 8.42 o
0 1 4 235.38 237.46 13.23 o
1 1 4 6436.66 6584.37 249.48 o
0 2 4 10.18 13.82 2.34 o
1 2 4 161.55 154.99 5.27 o
2 2 4 3.40 3.00 2.06 o
0 3 4 119.41 146.74 9.53 o
1 3 4 3403.47 3492.13 106.76 o
2 3 4 92.44 87.43 4.02 o
3 3 4 2044.36 1897.50 132.48 o
0 4 4 1.72 0.51 3.65 o
1 4 4 74.16 85.67 4.91 o
2 4 4 2.38 9.54 2.67 o
3 4 4 51.50 53.26 3.12 o
4 4 4 5.31 4.50 4.09 o
0 5 4 51.50 68.63 7.50 o
1 5 4 1343.91 1373.79 46.88 o
2 5 4 44.07 43.97 3.54 o
0 0 5 10310.27 10719.81 306.61 o
0 1 5 2873.10 2644.35 136.49 o
1 1 5 227.17 206.85 10.92 o
0 2 5 7113.74 7490.35 252.08 o
1 2 5 1968.30 2005.49 80.98 o
2 2 5 5217.29 4979.55 301.24 o
0 3 5 1461.02 1438.49 91.32 o
1 3 5 150.18 144.62 6.94 o
2 3 5 1146.20 1009.60 39.58 o
3 3 5 123.88 116.27 10.55 o
0 4 5 3147.61 3065.38 108.50 o
1 4 5 934.97 930.73 39.04 o
2 4 5 2547.77 2366.04 75.50 o
3 4 5 668.90 600.78 21.59 o
0 5 5 668.90 731.02 17.63 o
1 5 5 110.07 116.97 5.19 o
2 5 5 578.25 626.54 21.01 o
0 0 6 27.44 19.80 6.13 o
0 1 6 2664.00 2685.40 151.49 o
1 1 6 5492.20 5827.72 188.41 o
0 2 6 19.42 14.13 4.24 o
1 2 6 1967.05 1811.73 64.02 o
2 2 6 18.38 12.05 2.82 o
0 3 6 1522.90 1434.05 69.73 o
1 3 6 3031.71 2894.72 89.51 o
2 3 6 1222.27 1133.04 44.10 o
3 3 6 1937.81 1789.30 113.91 o
0 4 6 22.53 25.48 3.83 o
1 4 6 1008.65 1071.85 29.46 o
2 4 6 25.10 29.57 3.33 o
3 4 6 727.80 670.41 31.02 o
0 5 6 727.80 736.97 45.10 o
1 5 6 1345.14 1340.73 36.68 o
0 0 7 198.38 244.91 13.07 o
0 1 7 769.43 822.57 26.39 o
1 1 7 2484.51 2345.75 123.14 o
0 2 7 136.35 130.42 5.76 o
1 2 7 598.90 609.97 21.85 o
2 2 7 94.89 75.95 6.72 o
0 3 7 476.54 436.06 23.66 o
1 3 7 1439.79 1545.81 33.29 o
2 3 7 387.76 366.40 15.75 o
3 3 7 927.27 862.74 49.58 o
0 4 7 47.22 34.97 4.92 o
1 4 7 322.14 329.26 12.04 o
2 4 7 33.90 30.31 3.51 o
3 4 7 233.83 210.01 8.70 o
0 5 7 233.83 238.43 12.41 o
0 0 8 7921.38 7109.03 639.75 o
0 1 8 464.49 455.22 22.26 o
1 1 8 746.87 790.71 18.52 o
0 2 8 6055.89 5563.63 307.71 o
1 2 8 365.31 341.64 12.85 o
2 2 8 4799.96 4887.15 254.45 o
0 3 8 297.06 276.88 11.73 o
1 3 8 543.29 548.24 25.56 o
2 3 8 247.71 236.01 9.73 o
3 3 8 437.30 406.76 23.46 o
0 4 8 3249.47 3112.34 131.70 o
1 4 8 210.46 213.14 7.25 o
2 4 8 2743.76 2643.02 86.88 o
0 0 9 151.46 152.73 12.15 o
0 1 9 30.09 34.51 5.22 o
1 1 9 3756.88 3759.49 164.90 o
0 2 9 136.82 144.71 8.30 o
1 2 9 24.72 74.59 14.26 o
2 2 9 126.92 128.88 9.01 o
0 3 9 21.20 17.05 4.68 o
1 3 9 2439.78 2458.56 73.03 o
2 3 9 18.56 15.83 4.71 o
3 3 9 1709.02 1545.40 103.91 o
0 4 9 112.53 109.03 7.72 o
1 4 9 16.38 24.66 3.58 o
0 0 10 860.35 946.14 28.29 o
0 1 10 943.02 958.47 34.64 o
1 1 10 261.64 246.08 14.05 o
0 2 10 673.75 679.39 23.32 o
1 2 10 783.27 829.29 29.09 o
2 2 10 537.90 528.43 20.71 o
0 3 10 663.48 620.22 34.18 o
1 3 10 160.80 156.62 7.37 o
2 3 10 570.18 553.74 25.47 o
0 0 11 559.00 550.81 68.89 o
0 1 11 1990.70 2057.08 93.10 o
1 1 11 264.48 290.37 9.40 o
0 2 11 447.30 437.78 23.87 o
1 2 11 1693.20 1689.62 60.79 o
2 2 11 364.26 329.38 14.94 o
0 3 11 1459.78 1341.02 73.07 o
1 3 11 169.19 157.91 6.59 o
0 0 12 65.78 51.39 10.69 o
0 1 12 308.16 334.78 12.52 o
1 1 12 703.15 709.65 37.46 o
0 2 12 50.46 54.30 5.45 o
1 2 12 265.32 264.40 11.15 o
0 0 13 1855.38 2162.49 60.54 o
0 1 13 131.67 153.45 13.06 o