#------------------------------------------------------------------------------
#$Date: 2016-04-02 21:21:17 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180779 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/10/2011038.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_2011038_Fobs
loop_
_publ_author_name
'Derrien, Gaelle'
'Tillard, Monique'
'Monconduit, Laure'
'Belin, Claude'
_publ_section_title
;
 Potassium barium bismuth oxide
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e232
_journal_volume                  56
_journal_year                    2000
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   8.9600
_cell_length_b                   8.9600
_cell_length_c                   16.6170
_exptl_crystal_F_000             2000.00
_reflns_d_resolution_high        0.7118
_cod_data_source_file            qa0287Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '   I4/mcm   140'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            963.94
_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+1/2'
'x, -y, z+1/2'
'-y, x, z'
'y, -x, z'
'y, x, z+1/2'
'-y, -x, z+1/2'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1'
'x+1/2, -y+1/2, z+1'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1'
'-y+1/2, -x+1/2, z+1'
'-x, -y, -z'
'x, y, -z'
'x, -y, -z-1/2'
'-x, y, -z-1/2'
'y, -x, -z'
'-y, x, -z'
'-y, -x, -z-1/2'
'y, x, -z-1/2'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z'
'y+1/2, x+1/2, -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 50018.45 40704.57 3094.19 o
0 2 0 10845.17 20260.00 1629.04 o
2 2 0 208391.36 203982.30 7593.66 o
1 3 0 881475.06 904630.81 13300.87 o
3 3 0 293192.50 287164.78 11503.29 o
0 4 0 390217.94 416815.38 10597.25 o
2 4 0 204102.64 202132.73 7144.53 o
4 4 0 853225.81 918692.44 24064.75 o
1 5 0 176414.89 191025.09 7869.93 o
3 5 0 12894.02 17116.53 2517.86 o
0 6 0 455276.00 486620.69 24982.55 o
2 6 0 6415.83 7461.58 1045.89 o
4 6 0 2252.28 5079.87 4768.20 o
6 6 0 222393.48 215662.38 14825.52 o
1 7 0 25626.48 24469.09 1784.54 o
3 7 0 423957.09 419716.31 13816.74 o
5 7 0 60041.95 58668.95 9964.96 o
7 7 0 21010.69 21742.69 2845.84 o
0 8 0 251982.86 286603.97 14744.30 o
2 8 0 35405.10 34780.37 3927.97 o
4 8 0 8400.74 10107.85 1981.27 o
6 8 0 18900.71 23060.71 2109.96 o
8 8 0 89578.93 109165.24 9839.25 o
1 9 0 25652.22 30664.06 2971.45 o
3 9 0 2814.80 5244.69 5029.18 o
5 9 0 88322.35 90211.49 5127.82 o
7 9 0 31168.14 30681.95 7362.44 o
0 10 0 7671.53 14692.04 3196.87 o
2 10 0 57744.81 63227.77 3980.89 o
4 10 0 72182.06 69991.94 5275.17 o
6 10 0 3973.77 5538.48 2640.75 o
1 11 0 54740.80 63370.11 4710.07 o
3 11 0 38.35 4197.95 2337.02 o
0 12 0 7719.70 16978.89 7989.94 o
2 12 0 3247.49 10033.61 10831.16 o
1 2 1 5538.64 7886.06 1070.90 o
2 3 1 92291.02 86585.48 4412.20 o
1 4 1 50844.13 52859.23 3350.31 o
3 4 1 3701.50 3761.68 3515.74 o
2 5 1 996.66 3308.88 2329.95 o
4 5 1 41661.33 42698.70 3197.29 o
1 6 1 32448.26 38741.47 2832.60 o
3 6 1 62364.16 64604.08 3707.19 o
5 6 1 15244.82 8305.08 4278.23 o
2 7 1 144038.08 136403.38 8420.56 o
4 7 1 5121.19 4211.71 4542.72 o
6 7 1 60363.42 56233.30 3434.45 o
1 8 1 40571.27 43796.72 2628.68 o
5 8 1 39129.04 40829.95 6943.23 o
2 9 1 4840.57 7937.11 2202.11 o
4 9 1 7159.74 4030.73 2487.00 o
6 9 1 10615.12 8630.96 3262.85 o
8 9 1 7677.74 4897.48 2867.16 o
1 10 1 43112.25 43778.17 3683.81 o
3 10 1 31034.41 29889.04 2528.01 o
5 10 1 31245.62 29220.77 8249.78 o
7 10 1 13202.27 7585.30 3122.26 o
2 11 1 77236.23 79245.57 7006.72 o
4 11 1 6470.66 6076.00 2845.86 o
6 11 1 29272.23 32647.94 3101.62 o
1 12 1 8127.90 14876.65 4902.42 o
0 0 2 2237.90 3978.76 628.00 o
1 1 2 172714.69 157419.63 5565.79 o
0 2 2 16511.21 18281.99 1154.40 o
2 2 2 73897.68 70942.29 5345.16 o
1 3 2 4487.05 3012.20 938.15 o
3 3 2 30223.43 28722.56 2616.40 o
0 4 2 278728.38 300888.59 10196.03 o
2 4 2 74886.86 69857.66 4444.83 o
4 4 2 17291.12 22717.50 1970.67 o
1 5 2 8608.61 9075.74 1334.70 o
3 5 2 150779.33 151925.61 7353.93 o
5 5 2 103648.14 112111.81 10229.86 o
0 6 2 135142.39 153828.94 8470.53 o
2 6 2 10575.23 11883.81 1272.43 o
4 6 2 670.67 6307.85 4030.24 o
6 6 2 59202.36 57366.41 6441.62 o
1 7 2 47917.57 54704.61 3061.83 o
3 7 2 12371.50 11104.00 1847.29 o
5 7 2 2719.21 4524.44 4880.46 o
7 7 2 12531.46 12612.78 2552.16 o
0 8 2 27294.75 34386.64 2680.93 o
2 8 2 14086.05 12751.14 2028.36 o
4 8 2 149466.66 152335.92 8033.32 o
6 8 2 16009.58 16023.82 1801.31 o
8 8 2 12377.39 8138.43 8814.92 o
1 9 2 94616.98 88123.16 6061.21 o
3 9 2 16057.86 15961.76 1849.07 o
5 9 2 707.88 3712.68 6428.85 o
7 9 2 55815.59 58419.63 3384.20 o
0 10 2 896.32 5073.52 5342.61 o
2 10 2 19489.61 22812.90 2240.29 o
4 10 2 32206.81 32591.69 4826.25 o
6 10 2 230.42 5807.34 7675.03 o
1 11 2 28.19 10670.79 5175.58 o
3 11 2 17135.40 6795.09 9940.65 o
5 11 2 25256.21 20988.39 5704.10 o
0 12 2 88844.34 114535.48 12379.59 o
1 2 3 859027.75 854592.19 11916.32 o
2 3 3 222759.08 216325.08 12639.91 o
1 4 3 105139.59 103417.65 5397.53 o
2 5 3 531114.31 497517.38 25612.32 o
4 5 3 85016.61 90148.04 5813.53 o
1 6 3 172245.97 169078.86 8784.04 o
3 6 3 80301.67 90708.27 9387.32 o
5 6 3 115735.92 122636.06 7812.00 o
2 7 3 3242.72 5202.50 4519.21 o
4 7 3 19050.48 20352.02 8529.21 o
6 7 3 14762.21 13369.78 1584.69 o
1 8 3 75325.77 75435.87 5628.34 o
3 8 3 2503.47 6762.85 3342.33 o
5 8 3 69973.21 67009.91 4968.88 o
7 8 3 20691.03 23634.55 2057.07 o
2 9 3 98217.38 94393.02 6086.66 o
4 9 3 10429.71 7639.51 6069.50 o
6 9 3 27338.50 28309.92 3433.77 o
8 9 3 7922.59 4619.28 2835.00 o
1 10 3 6049.19 11091.18 7067.92 o
3 10 3 17226.78 17583.59 2224.20 o
5 10 3 1948.77 6488.16 7673.82 o
7 10 3 23866.74 25102.02 2582.34 o
2 11 3 3208.69 6675.89 5561.61 o
4 11 3 20496.71 18144.68 4161.16 o
1 12 3 9412.66 11270.81 8049.37 o
0 0 4 148917.66 165637.55 6217.09 o
1 1 4 36322.26 35533.57 2934.60 o
0 2 4 313058.72 405304.34 42295.73 o
2 2 4 63993.72 63143.26 5249.97 o
1 3 4 66570.77 69808.28 4295.82 o
3 3 4 206579.52 192657.75 10314.35 o
0 4 4 21098.50 25458.61 4254.73 o
2 4 4 22497.46 24306.00 2043.93 o
4 4 4 204957.17 203118.36 11821.67 o
1 5 4 244861.47 246872.17 9235.09 o
3 5 4 2355.87 4281.16 2323.72 o
5 5 4 51.80 2207.49 4225.02 o
0 6 4 14140.83 16854.92 4253.53 o
2 6 4 117488.71 114835.20 7423.90 o
4 6 4 179898.38 182752.42 8933.92 o
6 6 4 2741.80 1076.02 1732.52 o
1 7 4 30450.46 37851.12 2815.36 o
3 7 4 6545.08 6470.30 1826.84 o
5 7 4 113823.02 103424.40 5532.61 o
7 7 4 34974.16 36831.42 3024.91 o
0 8 4 223980.98 234450.11 23988.80 o
2 8 4 36269.27 33282.89 2160.97 o
4 8 4 10286.89 11830.13 2424.60 o
6 8 4 13583.31 8046.17 4686.99 o
8 8 4 99789.76 93024.49 7987.23 o
1 9 4 10391.87 11853.83 1670.38 o
3 9 4 200091.44 209420.11 11539.99 o
5 9 4 51588.37 52777.48 3551.09 o
7 9 4 10619.37 11673.88 1843.34 o
0 10 4 127561.97 135822.27 7945.24 o
2 10 4 4189.92 6349.73 5028.90 o
6 10 4 65639.61 64534.22 4655.42 o
1 11 4 33294.68 31385.08 10661.22 o
3 11 4 5413.11 6625.34 4540.35 o
0 12 4 25283.39 29001.11 6392.68 o
2 12 4 18380.35 18512.05 11670.34 o
1 2 5 76952.16 66658.51 4451.04 o
2 3 5 102970.25 111066.53 5279.63 o
1 4 5 4407.49 4894.23 1044.34 o
2 5 5 35618.64 39112.99 2712.58 o
4 5 5 3978.25 4427.41 3715.68 o
1 6 5 51686.13 54831.43 2894.94 o
3 6 5 58796.49 54345.77 3838.68 o
5 6 5 29066.39 28596.97 1817.70 o
2 7 5 73277.23 74480.39 4646.18 o
4 7 5 140.98 4217.15 4547.56 o
6 7 5 40305.16 40446.41 3193.88 o
1 8 5 4494.53 3205.19 1908.71 o
5 8 5 4618.52 3284.01 8278.63 o
7 8 5 105.30 3709.74 6427.55 o
2 9 5 16014.78 17432.40 1744.68 o
4 9 5 1065.97 3594.71 6868.01 o
6 9 5 12802.03 6066.51 5394.06 o
8 9 5 1510.59 8771.12 7164.96 o
1 10 5 26147.65 28877.16 5369.32 o
3 10 5 24269.38 26156.97 2470.08 o
5 10 5 17351.77 10096.43 2837.51 o
7 10 5 14655.46 17309.63 2208.84 o
2 11 5 32386.80 35158.59 2606.40 o
1 12 5 1467.46 3621.41 3048.07 o
0 0 6 833816.44 798687.56 16770.80 o
1 1 6 383536.97 367880.88 12782.82 o
0 2 6 176347.38 235483.63 15156.97 o
2 2 6 16686.90 17257.22 1386.43 o
1 3 6 123245.55 128378.55 8769.22 o
3 3 6 648359.31 575340.31 18496.86 o
0 4 6 929176.13 979146.63 19365.94 o
2 4 6 4049.60 3401.48 1199.20 o
4 4 6 168587.11 143433.25 10775.18 o
1 5 6 251.32 4468.68 5177.77 o
3 5 6 62554.01 50427.71 4298.58 o
5 5 6 87919.66 85803.20 6995.21 o
0 6 6 35228.36 36875.00 6484.74 o
2 6 6 76282.77 66546.67 4286.60 o
4 6 6 112910.96 102759.20 9399.17 o
6 6 6 15512.22 15817.81 2175.36 o
1 7 6 180863.61 170345.56 9874.64 o
3 7 6 77788.01 74199.98 4671.25 o
5 7 6 506.82 5513.57 3918.03 o
7 7 6 108122.50 99947.48 8853.46 o
0 8 6 25493.00 24742.12 2167.71 o
2 8 6 13707.28 15107.40 1486.33 o
4 8 6 122206.70 117621.18 7379.43 o
6 8 6 11013.08 9650.38 5159.60 o
8 8 6 7203.82 6163.39 2589.85 o
1 9 6 12607.64 15053.17 2889.43 o
3 9 6 27799.18 32912.09 14543.75 o
5 9 6 4253.34 5140.74 2194.05 o
7 9 6 1834.68 4990.76 2316.90 o
0 10 6 79073.95 82215.41 4572.44 o
2 10 6 468.66 9404.90 5976.22 o
6 10 6 48423.89 47678.66 5824.54 o
1 11 6 842.64 6696.04 7858.67 o
3 11 6 31453.13 32672.53 2598.52 o
5 11 6 15347.66 15261.24 4902.23 o
0 12 6 13472.25 9741.97 10514.65 o
2 12 6 12962.68 15741.63 5957.45 o
1 2 7 7406.53 4366.25 2556.05 o
2 3 7 51758.20 52493.04 4391.44 o
1 4 7 77083.85 74274.49 6267.11 o
3 4 7 5258.12 6679.94 3400.40 o
2 5 7 15516.11 15926.74 3322.76 o
4 5 7 68271.53 64015.61 4192.57 o
1 6 7 13774.13 14590.16 1470.19 o
3 6 7 44794.12 42444.34 3886.95 o
2 7 7 151272.81 145764.06 8874.15 o
4 7 7 9955.49 6400.96 1999.89 o
6 7 7 57421.24 59505.94 3865.46 o
1 8 7 67259.45 61933.28 3791.58 o
3 8 7 4671.22 3387.73 1867.09 o
5 8 7 65422.80 65304.50 3820.80 o
7 8 7 10171.46 12126.69 1915.98 o
2 9 7 730.47 6201.79 5953.15 o
4 9 7 11545.06 7004.70 5516.83 o
6 9 7 6734.80 11827.36 5727.79 o
1 10 7 43551.91 45723.36 3031.02 o
3 10 7 27343.78 25998.44 2198.47 o
5 10 7 33428.67 31372.81 2363.34 o
2 11 7 93741.88 95499.44 7339.65 o
4 11 7 12485.44 13990.53 2147.94 o
0 0 8 621164.00 630408.44 16463.35 o
0 2 8 68556.97 124743.21 7781.10 o
2 2 8 67165.88 61163.15 6061.29 o
1 3 8 195676.53 188564.16 7856.29 o
3 3 8 28.33 1699.57 2934.69 o
0 4 8 32970.23 35342.63 1933.23 o
2 4 8 49733.44 44909.59 4320.00 o
4 4 8 301630.31 282019.72 14512.16 o
1 5 8 141306.20 134770.66 8078.38 o
3 5 8 191.64 4014.64 4015.36 o
0 6 8 37936.17 42903.68 2814.51 o
2 6 8 32057.27 30552.59 2808.17 o
4 6 8 31105.87 27367.47 2391.42 o
6 6 8 24985.84 21807.80 2786.83 o
3 7 8 79227.61 73588.74 4641.73 o
5 7 8 62233.21 61363.72 7220.60 o
0 8 8 169141.31 172522.33 14391.67 o
2 8 8 25117.57 23620.93 2042.01 o
4 8 8 8013.97 4544.54 2439.99 o
6 8 8 10605.08 9060.19 2623.54 o
8 8 8 72079.45 71875.48 8106.21 o
1 9 8 93.14 2082.32 2258.53 o
3 9 8 49402.31 47281.79 2976.75 o
5 9 8 50308.49 44028.22 3657.25 o
0 10 8 17938.22 19690.22 4626.62 o
2 10 8 14791.70 10049.69 2730.88 o
4 10 8 8923.42 6926.67 8193.63 o
6 10 8 9162.16 7139.99 3092.91 o
1 11 8 30813.65 33081.65 2699.27 o
3 11 8 972.82 6360.26 7465.29 o
1 2 9 364553.50 354091.38 10574.60 o
2 3 9 122028.13 106948.20 6540.44 o
1 4 9 37870.05 35066.82 2152.73 o
3 4 9 1603.23 5073.09 4203.44 o
2 5 9 257928.91 239613.89 10068.46 o
4 5 9 33998.81 34769.45 2847.90 o
1 6 9 97664.53 95173.31 5159.20 o
3 6 9 52299.14 45912.14 2959.32 o
5 6 9 67397.31 54377.64 8379.36 o
2 7 9 6432.27 7978.93 3188.19 o
4 7 9 8256.27 7441.74 2622.13 o
6 7 9 13399.42 14797.74 1624.23 o
1 8 9 31133.46 32290.10 2678.36 o
3 8 9 945.22 5646.10 4666.39 o
5 8 9 29532.60 28946.76 5355.08 o
7 8 9 9492.85 12730.71 2547.16 o
2 9 9 56412.43 60896.67 7544.64 o
4 9 9 4373.48 5757.23 6808.70 o
6 9 9 18101.04 15831.91 2676.01 o
1 10 9 6609.04 7844.59 3746.75 o
3 10 9 13592.54 19026.97 2648.73 o
5 10 9 2801.77 6339.55 5112.27 o
0 0 10 69822.29 66451.59 6453.10 o
1 1 10 39853.36 46945.75 4850.25 o
0 2 10 1101.59 793.39 3021.17 o
2 2 10 50905.83 43661.15 3751.29 o
1 3 10 38086.05 38315.33 2279.44 o
3 3 10 15328.96 17600.60 2195.55 o
0 4 10 42954.99 46888.25 2916.96 o
2 4 10 69601.86 59427.63 3778.13 o
1 5 10 9431.71 14513.97 3948.29 o
3 5 10 109849.75 109505.97 7241.26 o
5 5 10 59348.38 61576.90 6130.85 o
0 6 10 220900.75 233948.27 14204.11 o
4 6 10 13320.23 13070.60 2115.81 o
6 6 10 103729.37 83938.60 8364.13 o
1 7 10 6973.95 6280.52 5459.44 o
3 7 10 51881.40 49500.48 3334.65 o
5 7 10 5482.00 7201.29 4241.73 o
7 7 10 817.25 10853.58 6928.87 o
0 8 10 17958.77 15353.94 2429.50 o
2 8 10 7447.81 6656.33 5083.63 o
4 8 10 94368.94 98985.98 9572.96 o
6 8 10 10247.98 12694.73 4181.38 o
8 8 10 10203.94 10193.50 2837.71 o
1 9 10 95351.54 93968.60 5883.77 o
3 9 10 47273.56 45514.34 3170.02 o
5 9 10 74.67 5182.85 7551.48 o
0 10 10 20701.32 20109.00 6846.00 o
2 10 10 23727.13 23703.52 2210.89 o
4 10 10 46481.16 49242.28 2748.47 o
1 2 11 126958.13 132087.94 19095.71 o
2 3 11 72595.94 74443.77 14383.49 o
1 4 11 3339.21 4343.20 1600.45 o
3 4 11 43.72 2382.65 5135.89 o
2 5 11 84042.30 75781.46 4519.25 o
4 5 11 2938.12 2710.36 1711.70 o
1 6 11 49715.94 44884.57 3720.36 o
3 6 11 38316.56 36225.10 2265.78 o
5 6 11 32358.32 28435.39 1849.81 o
2 7 11 20442.91 22920.18 5875.73 o
4 7 11 1322.74 3214.54 5572.64 o
6 7 11 18182.08 18894.61 1954.96 o
1 8 11 2346.79 8434.73 6993.12 o
5 8 11 2075.64 6687.89 4256.68 o
2 9 11 23563.59 17421.25 5520.10 o
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6 9 11 11060.48 13138.54 5422.89 o
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3 10 11 13646.06 16138.35 3536.84 o
0 0 12 688586.94 702348.13 21197.45 o
1 1 12 8817.53 9369.70 2102.93 o
0 2 12 9767.34 15364.25 2172.14 o
2 2 12 46957.61 38889.98 3964.88 o
1 3 12 207312.86 200860.14 9773.85 o
3 3 12 45465.76 43862.70 4939.05 o
0 4 12 95323.72 96033.84 5715.28 o
2 4 12 48360.55 45734.30 4670.30 o
4 4 12 275518.91 274623.34 16837.64 o
1 5 12 73630.56 72256.45 4623.46 o
3 5 12 915.62 3218.33 5090.05 o
0 6 12 95059.98 98212.19 5814.52 o
2 6 12 6165.38 5987.60 4005.47 o
4 6 12 1239.47 3372.88 3595.05 o
6 6 12 54434.23 46241.59 4301.88 o
1 7 12 5412.68 5810.99 4463.87 o
3 7 12 120301.38 121339.46 9211.95 o
5 7 12 31621.35 31819.22 2045.46 o
7 7 12 3887.54 6343.42 2435.32 o
0 8 12 113910.45 107016.16 6838.64 o
2 8 12 14060.50 11924.74 2777.92 o
4 8 12 6793.11 8594.53 6834.76 o
6 8 12 7520.02 12408.77 8422.68 o
3 9 12 8018.61 6865.30 5564.50 o
5 9 12 37122.48 33987.23 2653.28 o
2 10 12 17888.81 14328.74 3038.95 o
4 10 12 19363.87 20406.39 2256.95 o
1 2 13 7629.89 8421.82 3063.39 o
2 3 13 23265.29 21861.83 2867.82 o
1 4 13 47147.02 46559.45 3244.65 o
3 4 13 3300.17 5592.81 4860.58 o
2 5 13 14860.23 13273.76 1552.88 o
4 5 13 45501.47 45189.89 9121.98 o
1 6 13 5704.75 7257.04 2013.10 o
3 6 13 23740.14 22571.77 6538.43 o
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