#------------------------------------------------------------------------------
#$Date: 2016-04-03 00:05:52 +0300 (Sun, 03 Apr 2016) $
#$Revision: 180959 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/39/2203977.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_2203977_Fobs
loop_
_publ_author_name
'Jongen, Liesbet'
'Meyer, Gerd'
_publ_section_title
;
 Dipotassium hexachlorotantalate(IV), K~2~TaCl~6~
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i91
_journal_page_last               i92
_journal_volume                  60
_journal_year                    2004
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.9935
_cell_length_b                   9.9935
_cell_length_c                   9.9935
_exptl_crystal_F_000             852.00
_reflns_d_resolution_high        0.7620
_cod_data_source_file            bt6484Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  LJ144B  STOE IPDS MEASUREMENT'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            551.93
_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, -y, z'
'-x, y, -z'
'-y, x, z'
'y, x, -z'
'y, -x, z'
'-y, -x, -z'
'y, z, x'
'-y, -z, x'
'y, -z, -x'
'-y, z, -x'
'-z, y, x'
'-z, -y, -x'
'z, -y, x'
'z, y, -x'
'z, x, y'
'-z, x, -y'
'-z, -x, y'
'z, -x, -y'
'-x, -z, -y'
'-x, z, y'
'x, -z, y'
'x, z, -y'
'x, y+1/2, z+1/2'
'x, -y+1/2, -z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'-y, x+1/2, z+1/2'
'y, x+1/2, -z+1/2'
'y, -x+1/2, z+1/2'
'-y, -x+1/2, -z+1/2'
'y, z+1/2, x+1/2'
'-y, -z+1/2, x+1/2'
'y, -z+1/2, -x+1/2'
'-y, z+1/2, -x+1/2'
'-z, y+1/2, x+1/2'
'-z, -y+1/2, -x+1/2'
'z, -y+1/2, x+1/2'
'z, y+1/2, -x+1/2'
'z, x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-x, -z+1/2, -y+1/2'
'-x, z+1/2, y+1/2'
'x, -z+1/2, y+1/2'
'x, z+1/2, -y+1/2'
'x+1/2, y, z+1/2'
'x+1/2, -y, -z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'-y+1/2, x, z+1/2'
'y+1/2, x, -z+1/2'
'y+1/2, -x, z+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, z, -x+1/2'
'-z+1/2, y, x+1/2'
'-z+1/2, -y, -x+1/2'
'z+1/2, -y, x+1/2'
'z+1/2, y, -x+1/2'
'z+1/2, x, y+1/2'
'-z+1/2, x, -y+1/2'
'-z+1/2, -x, y+1/2'
'z+1/2, -x, -y+1/2'
'-x+1/2, -z, -y+1/2'
'-x+1/2, z, y+1/2'
'x+1/2, -z, y+1/2'
'x+1/2, z, -y+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, -z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'-y+1/2, x+1/2, z'
'y+1/2, x+1/2, -z'
'y+1/2, -x+1/2, z'
'-y+1/2, -x+1/2, -z'
'y+1/2, z+1/2, x'
'-y+1/2, -z+1/2, x'
'y+1/2, -z+1/2, -x'
'-y+1/2, z+1/2, -x'
'-z+1/2, y+1/2, x'
'-z+1/2, -y+1/2, -x'
'z+1/2, -y+1/2, x'
'z+1/2, y+1/2, -x'
'z+1/2, x+1/2, y'
'-z+1/2, x+1/2, -y'
'-z+1/2, -x+1/2, y'
'z+1/2, -x+1/2, -y'
'-x+1/2, -z+1/2, -y'
'-x+1/2, z+1/2, y'
'x+1/2, -z+1/2, y'
'x+1/2, z+1/2, -y'
'-x, -y, -z'
'-x, y, z'
'x, y, -z'
'x, -y, z'
'y, -x, -z'
'-y, -x, z'
'-y, x, -z'
'y, x, z'
'-y, -z, -x'
'y, z, -x'
'-y, z, x'
'y, -z, x'
'z, -y, -x'
'z, y, x'
'-z, y, -x'
'-z, -y, x'
'-z, -x, -y'
'z, -x, y'
'z, x, -y'
'-z, x, y'
'x, z, y'
'x, -z, -y'
'-x, z, -y'
'-x, -z, y'
'-x, -y+1/2, -z+1/2'
'-x, y+1/2, z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'y, -x+1/2, -z+1/2'
'-y, -x+1/2, z+1/2'
'-y, x+1/2, -z+1/2'
'y, x+1/2, z+1/2'
'-y, -z+1/2, -x+1/2'
'y, z+1/2, -x+1/2'
'-y, z+1/2, x+1/2'
'y, -z+1/2, x+1/2'
'z, -y+1/2, -x+1/2'
'z, y+1/2, x+1/2'
'-z, y+1/2, -x+1/2'
'-z, -y+1/2, x+1/2'
'-z, -x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'x, z+1/2, y+1/2'
'x, -z+1/2, -y+1/2'
'-x, z+1/2, -y+1/2'
'-x, -z+1/2, y+1/2'
'-x+1/2, -y, -z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'y+1/2, -x, -z+1/2'
'-y+1/2, -x, z+1/2'
'-y+1/2, x, -z+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, z, -x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, -z, x+1/2'
'z+1/2, -y, -x+1/2'
'z+1/2, y, x+1/2'
'-z+1/2, y, -x+1/2'
'-z+1/2, -y, x+1/2'
'-z+1/2, -x, -y+1/2'
'z+1/2, -x, y+1/2'
'z+1/2, x, -y+1/2'
'-z+1/2, x, y+1/2'
'x+1/2, z, y+1/2'
'x+1/2, -z, -y+1/2'
'-x+1/2, z, -y+1/2'
'-x+1/2, -z, y+1/2'
'-x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'y+1/2, -x+1/2, -z'
'-y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, -z'
'y+1/2, x+1/2, z'
'-y+1/2, -z+1/2, -x'
'y+1/2, z+1/2, -x'
'-y+1/2, z+1/2, x'
'y+1/2, -z+1/2, x'
'z+1/2, -y+1/2, -x'
'z+1/2, y+1/2, x'
'-z+1/2, y+1/2, -x'
'-z+1/2, -y+1/2, x'
'-z+1/2, -x+1/2, -y'
'z+1/2, -x+1/2, y'
'z+1/2, x+1/2, -y'
'-z+1/2, x+1/2, y'
'x+1/2, z+1/2, y'
'x+1/2, -z+1/2, -y'
'-x+1/2, z+1/2, -y'
'-x+1/2, -z+1/2, y'
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 1 87523.57 81281.84 14049.25 o
0 0 2 62227.96 63857.64 627.23 o
0 2 2 66914.73 69042.00 382.65 o
2 2 2 17789.32 18935.14 304.51 o
1 1 3 54178.08 54528.10 270.48 o
1 3 3 37045.87 35051.00 173.51 o
3 3 3 26768.09 25343.13 265.92 o
0 0 4 304622.06 302908.63 2299.17 o
0 2 4 42134.76 40284.44 298.13 o
2 2 4 51059.00 49025.57 270.65 o
0 4 4 166109.80 167188.06 981.00 o
2 4 4 31322.15 31092.49 164.65 o
4 4 4 100848.14 99995.00 1276.43 o
1 1 5 51569.89 48701.29 398.09 o
1 3 5 37330.16 37842.14 135.59 o
3 3 5 27832.63 27471.18 293.69 o
1 5 5 32966.74 33284.79 220.98 o
3 5 5 25233.59 26426.38 220.04 o
5 5 5 21484.24 20826.36 309.79 o
0 0 6 21772.52 21730.64 315.26 o
0 2 6 28590.48 29132.61 153.02 o
2 2 6 380.52 466.41 112.44 o
0 4 6 17798.70 17791.15 141.64 o
2 4 6 22842.20 22398.73 157.13 o
4 4 6 14268.15 14150.18 157.98 o
0 6 6 14608.38 14496.04 197.95 o
2 6 6 752.85 883.77 123.95 o
4 6 6 11968.31 12821.83 175.53 o
6 6 6 1274.04 1207.25 281.47 o
1 1 7 18279.62 18074.56 133.09 o
1 3 7 14343.29 14744.97 102.83 o
3 3 7 11460.90 11856.05 143.99 o
1 5 7 13986.72 13934.62 103.16 o
3 5 7 11287.43 11668.38 107.83 o
5 5 7 10235.11 11103.78 144.94 o
1 7 7 6958.84 7637.00 147.50 o
3 7 7 5868.35 6706.11 158.35 o
5 7 7 5520.25 5097.10 154.99 o
7 7 7 3311.96 3719.71 364.24 o
0 0 8 66941.30 68355.53 1021.22 o
0 2 8 18955.11 19051.57 152.23 o
2 2 8 22873.30 23187.35 152.30 o
0 4 8 44558.63 44302.70 287.92 o
2 4 8 14333.75 15256.62 110.13 o
4 4 8 30409.49 30323.33 432.01 o
0 6 8 9316.02 9576.51 157.85 o
2 6 8 11570.83 12338.93 104.97 o
4 6 8 7296.51 7265.09 121.47 o
6 6 8 6394.16 6688.64 200.26 o
0 8 8 15193.91 15393.70 328.78 o
2 8 8 6557.28 6799.69 186.01 o
4 8 8 10831.53 10863.75 222.22 o
6 8 8 3597.56 4131.58 196.90 o
1 1 9 19258.04 19984.84 161.21 o
1 3 9 15363.98 16266.37 108.38 o
3 3 9 12400.88 12930.67 148.83 o
1 5 9 12635.29 13143.25 115.66 o
3 5 9 10301.11 10642.55 118.11 o
5 5 9 8358.48 7702.78 179.18 o
1 7 9 6670.82 6554.51 133.18 o
3 7 9 5603.63 5564.10 122.32 o
5 7 9 4679.30 4941.71 134.69 o
1 9 9 4940.01 4735.95 274.83 o
3 9 9 4166.46 2877.02 225.23 o
0 0 10 5531.29 5763.26 280.57 o
0 2 10 7565.87 7664.65 136.81 o
2 2 10 1024.13 1003.70 155.93 o
0 4 10 4767.32 4282.98 161.17 o
2 4 10 6370.65 6231.00 113.55 o
4 4 10 4030.55 4141.05 178.46 o
0 6 10 4717.35 4469.04 179.98 o
2 6 10 1227.16 1092.86 117.80 o
4 6 10 3945.90 4097.24 138.59 o
6 6 10 1151.92 1064.33 249.27 o
0 8 10 2839.78 3006.18 206.48 o
2 8 10 3577.66 2890.32 146.45 o
1 1 11 4133.36 3627.50 150.19 o
1 3 11 3599.43 3615.79 124.85 o
3 3 11 3158.01 3429.68 173.15 o
1 5 11 3404.21 3699.17 129.36 o
3 5 11 2973.91 2997.50 137.92 o
5 5 11 2660.69 1832.97 210.01 o
1 7 11 2207.36 1563.89 158.13 o
0 0 12 11861.44 10492.11 358.91 o
0 2 12 5690.25 5638.03 188.83 o
2 2 12 6725.89 6726.45 197.56 o
0 4 12 8458.41 8534.50 204.01 o
2 4 12 4312.45 4517.24 146.57 o
1 1 13 5296.11 4043.73 247.23 o