#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2216660.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_2216660_Fobs
loop_
_publ_author_name
'Smolentsev, Anton I.'
'Gubanov, Alexander I.'
'Naumov, Dmitry Yu.'
'Danilenko, Andrey M.'
_publ_section_title
;
 Caesium hexafluoridoiridate(IV)
;
_journal_coeditor_code           MG2040
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i201
_journal_volume                  63
_journal_year                    2007
_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                   6.2421
_cell_length_b                   6.2421
_cell_length_c                   5.0084
_exptl_crystal_F_000             241.00
_reflns_d_resolution_high        0.7102
_[local]_cod_data_source_file    mg2040Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     'Cs2IrF6 in P-3m1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            163.92
_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'
'x-y, -y, -z'
'-x, -x+y, -z'
'y, x, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+y, y, z'
'x, x-y, 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
0 1 0 1313.80 1359.71 9.15 o
-1 2 0 20068.57 20461.19 105.99 o
0 2 0 34.95 39.96 2.56 o
-1 3 0 323.72 316.48 3.54 o
0 3 0 12877.49 13291.82 82.86 o
-2 4 0 17826.22 18064.89 108.12 o
-1 4 0 579.99 569.20 6.43 o
0 4 0 116.52 129.48 7.25 o
-2 5 0 772.52 754.85 7.99 o
-1 5 0 7450.00 7504.15 44.73 o
0 5 0 139.76 149.96 8.83 o
-3 6 0 6028.03 5962.58 58.27 o
-2 6 0 144.74 159.22 6.66 o
-1 6 0 187.82 197.81 8.30 o
0 6 0 5049.16 4868.90 81.65 o
-3 7 0 126.24 140.06 13.15 o
-2 7 0 3476.39 3503.77 36.04 o
-1 7 0 282.66 283.80 14.75 o
0 7 0 332.63 312.26 42.19 o
-4 8 0 3086.26 3103.23 52.82 o
-3 8 0 173.40 173.29 9.38 o
-2 8 0 124.05 127.96 10.71 o
-1 8 0 2039.82 2089.57 40.45 o
0 0 1 2627.96 2569.79 24.98 o
-1 1 1 337.95 319.17 4.65 o
0 1 1 22992.58 22737.51 94.84 o
-2 2 1 26870.78 27249.73 160.99 o
-1 2 1 1147.58 1153.68 7.19 o
0 2 1 726.15 812.99 7.53 o
-3 3 1 1643.93 1658.30 15.38 o
-2 3 1 394.13 383.80 4.27 o
-1 3 1 12693.98 12780.86 49.92 o
0 3 1 385.33 401.89 7.39 o
-4 4 1 61.31 80.31 4.38 o
-3 4 1 10671.46 10801.18 46.01 o
-2 4 1 1202.04 1190.31 9.14 o
-1 4 1 163.80 156.97 4.91 o
0 4 1 11638.84 11567.25 76.24 o
-5 5 1 4948.29 5022.37 54.30 o
-4 5 1 369.36 359.03 5.83 o
-3 5 1 130.24 133.39 3.59 o
-2 5 1 8457.45 8573.96 39.24 o
-1 5 1 909.40 908.97 9.50 o
0 5 1 252.14 257.89 7.93 o
-6 6 1 474.74 458.18 23.65 o
-5 6 1 116.99 128.28 6.54 o
-4 6 1 6343.53 6392.11 56.71 o
-3 6 1 515.14 513.60 8.99 o
-2 6 1 18.69 28.70 3.21 o
-1 6 1 4564.10 4661.04 39.34 o
0 6 1 485.80 477.34 23.50 o
-7 7 1 87.61 52.97 13.10 o
-6 7 1 3259.29 3290.62 67.09 o
-5 7 1 601.98 601.26 16.50 o
-4 7 1 154.70 149.30 6.75 o
-3 7 1 3261.52 3255.30 26.97 o
-2 7 1 189.38 194.29 7.61 o
-1 7 1 75.13 69.88 5.88 o
0 7 1 2608.54 2582.64 50.71 o
-6 8 1 40.73 35.64 8.76 o
-5 8 1 2570.80 2593.76 28.65 o
-4 8 1 339.67 332.39 11.39 o
-3 8 1 65.79 71.99 5.60 o
-2 8 1 2385.49 2352.99 33.96 o
0 0 2 1489.00 1593.56 39.47 o
-1 1 2 15430.55 15029.78 108.97 o
0 1 2 1426.40 1417.31 14.60 o
-2 2 2 4776.22 4748.70 34.60 o
-1 2 2 50.62 58.02 2.64 o
0 2 2 14096.96 14053.89 83.22 o
-3 3 2 113.16 122.48 5.54 o
-2 3 2 12826.20 12744.30 50.83 o
-1 3 2 1686.57 1708.72 11.79 o
0 3 2 29.46 33.38 3.48 o
-4 4 2 7350.54 7351.47 55.99 o
-3 4 2 1074.02 1074.23 10.97 o
-2 4 2 207.30 226.88 4.52 o
-1 4 2 8002.79 8060.79 42.44 o
0 4 2 2163.54 2188.52 25.11 o
-5 5 2 981.15 961.41 20.79 o
-4 5 2 23.50 22.11 3.03 o
-3 5 2 5227.11 5183.53 33.84 o
-2 5 2 654.21 668.19 11.87 o
-1 5 2 58.37 70.88 4.82 o
0 5 2 5880.79 5791.12 61.56 o
-6 6 2 13.12 28.61 8.25 o
-5 6 2 4205.93 4148.73 37.64 o
-4 6 2 1199.81 1199.78 16.89 o
-3 6 2 26.52 22.73 4.19 o
-2 6 2 4347.84 4363.38 36.54 o
-1 6 2 768.00 785.95 15.13 o
0 6 2 13.25 29.21 14.00 o
-7 7 2 1616.97 1557.96 99.94 o
-6 7 2 417.73 419.33 11.91 o
-5 7 2 79.65 83.47 6.36 o
-4 7 2 3595.75 3530.19 33.44 o
-3 7 2 678.51 660.81 13.60 o
-2 7 2 30.33 35.81 5.54 o
-1 7 2 2218.39 2199.04 32.97 o
0 7 2 278.31 307.16 15.46 o
-6 8 2 1796.24 1795.58 38.35 o
-5 8 2 429.25 424.38 12.80 o
-4 8 2 15.17 18.56 4.80 o
-3 8 2 2004.57 2016.07 27.22 o
-2 8 2 502.57 498.01 14.64 o
0 0 3 7473.33 7208.34 98.30 o
-1 1 3 2236.64 2241.26 25.92 o
0 1 3 72.16 77.15 6.03 o
-2 2 3 176.29 192.47 8.73 o
-1 2 3 9706.99 9377.89 48.77 o
0 2 3 4960.32 4784.45 42.48 o
-3 3 3 6221.76 6097.15 47.13 o
-2 3 3 1816.80 1792.40 15.28 o
-1 3 3 15.43 21.20 3.22 o
0 3 3 8153.43 8116.06 58.33 o
-4 4 3 2443.53 2350.32 32.38 o
-3 4 3 29.43 36.77 4.19 o
-2 4 3 4581.41 4521.94 29.57 o
-1 4 3 1538.13 1597.90 16.43 o
0 4 3 40.36 40.12 6.16 o
-5 5 3 48.10 58.01 8.94 o
-4 5 3 4595.79 4562.47 39.70 o
-3 5 3 1153.99 1148.88 21.83 o
-2 5 3 40.94 45.20 5.34 o
-1 5 3 3740.47 3686.91 41.32 o
0 5 3 954.10 985.49 46.10 o
-6 6 3 1974.66 2038.96 43.59 o
-5 6 3 908.56 860.65 21.10 o
-4 6 3 12.83 15.81 4.48 o
-3 6 3 3233.84 3180.18 32.63 o
-2 6 3 1418.97 1401.08 20.74 o
-1 6 3 14.28 14.35 6.78 o
0 6 3 1947.14 1964.97 42.20 o
-6 7 3 9.97 9.98 6.07 o
-5 7 3 1808.21 1778.35 28.92 o
-4 7 3 704.49 709.33 15.64 o
-3 7 3 37.01 47.84 8.18 o
-2 7 3 2469.58 2462.20 34.31 o
-1 7 3 601.01 600.90 17.20 o
0 0 4 4282.52 4238.37 124.64 o
-1 1 4 62.25 69.06 7.09 o
0 1 4 6131.79 5989.83 54.26 o
-2 2 4 2992.50 2937.33 34.57 o
-1 2 4 2440.95 2442.93 22.05 o
0 2 4 12.15 15.32 5.31 o
-3 3 4 1625.98 1619.35 28.40 o
-2 3 4 115.20 114.13 5.90 o
-1 3 4 4373.99 4308.79 31.31 o
0 3 4 2168.99 2132.56 33.66 o
-4 4 4 10.02 16.24 6.53 o
-3 4 4 3459.78 3431.26 32.88 o
-2 4 4 2335.16 2297.56 27.67 o
-1 4 4 23.49 23.11 4.83 o
0 4 4 2071.97 2081.22 37.49 o
-5 5 4 2116.69 2162.99 47.64 o
-4 5 4 1446.79 1434.17 22.80 o
-3 5 4 10.65 9.92 4.81 o
-2 5 4 2904.00 2833.26 47.00 o
-1 5 4 1145.44 1148.21 21.56 o
0 5 4 48.81 46.32 10.84 o
-6 6 4 898.31 906.65 32.38 o
-5 6 4 15.09 31.21 7.81 o
-4 6 4 1455.69 1456.58 23.66 o
-3 6 4 1115.77 1135.32 20.79 o
-2 6 4 11.42 21.33 6.97 o
-1 6 4 1656.20 1677.80 30.01 o
0 6 4 910.00 977.88 33.00 o
-5 7 4 562.99 520.36 18.20 o
-4 7 4 18.69 32.26 8.11 o
-3 7 4 1369.39 1374.81 25.58 o
-2 7 4 824.95 842.74 22.25 o
0 0 5 27.19 22.39 11.63 o
-1 1 5 2844.10 2852.23 37.40 o
0 1 5 2595.24 2576.22 38.63 o
-2 2 5 2065.45 2067.92 31.65 o
-1 2 5 59.88 58.41 5.67 o
0 2 5 1623.13 1690.26 28.64 o
-3 3 5 19.86 36.83 8.03 o
-2 3 5 2097.59 2170.37 25.90 o
-1 3 5 1754.71 1800.68 24.61 o
0 3 5 63.78 47.81 8.90 o
-4 4 5 1162.57 1224.94 37.37 o
-3 4 5 1673.52 1669.62 26.19 o
-2 4 5 20.03 23.27 6.29 o
-1 4 5 1719.43 1658.48 25.90 o
0 4 5 1320.57 1281.28 43.62 o
-5 5 5 827.33 799.43 32.24 o
-4 5 5 20.67 25.10 8.08 o
-3 5 5 1517.69 1514.63 25.75 o
-2 5 5 1501.32 1479.90 25.33 o
-1 5 5 8.65 9.54 6.94 o
0 5 5 1081.34 1068.29 36.67 o
-4 6 5 877.10 852.13 23.50 o
-3 6 5 8.23 26.39 7.05 o
-2 6 5 824.21 837.03 30.65 o
0 0 6 1039.20 1131.03 53.94 o
-1 1 6 1808.82 1854.38 32.46 o
0 1 6 21.78 14.22 7.47 o
-2 2 6 24.82 34.73 9.09 o
-1 2 6 1035.00 1077.09 19.53 o
0 2 6 1239.23 1265.67 33.70 o
-3 3 6 983.74 1017.86 36.64 o
-2 3 6 1618.58 1571.87 27.26 o
-1 3 6 13.69 25.79 6.60 o
0 3 6 749.02 775.20 32.30 o
-4 4 6 856.96 845.00 36.82 o
-3 4 6 7.87 22.80 7.54 o
-2 4 6 731.70 791.31 20.22 o
-1 4 6 1187.57 1229.38 28.94 o
0 4 6 19.41 29.38 13.34 o
0 0 7 876.57 852.82 78.90 o