#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/25/2212578.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_2212578_Fobs
loop_
_publ_author_name
'Puzdrjakova, Irina V.'
'Macquart, Ren\'e B.'
'Smith, Mark D.'
'Loye, Hans-Conrad zur'
_publ_section_title
;
 Trisodium dicalcium bismuth hexaoxide
;
_journal_coeditor_code           HB2296
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i95
_journal_page_last               i96
_journal_volume                  63
_journal_year                    2007
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.7039
_cell_length_b                   9.6251
_cell_length_c                   19.9468
_exptl_crystal_F_000             1632.00
_reflns_d_resolution_high        0.6995
_[local]_cod_data_source_file    hb2296Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' rm1110as in Fddd'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1157.81
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+3/4, -y+3/4, z'
'-x+3/4, y, -z+3/4'
'x, -y+3/4, -z+3/4'
'x, y+1/2, z+1/2'
'-x+3/4, -y+5/4, z+1/2'
'-x+3/4, y+1/2, -z+5/4'
'x, -y+5/4, -z+5/4'
'x+1/2, y, z+1/2'
'-x+5/4, -y+3/4, z+1/2'
'-x+5/4, y, -z+5/4'
'x+1/2, -y+3/4, -z+5/4'
'x+1/2, y+1/2, z'
'-x+5/4, -y+5/4, z'
'-x+5/4, y+1/2, -z+3/4'
'x+1/2, -y+5/4, -z+3/4'
'-x, -y, -z'
'x-3/4, y-3/4, -z'
'x-3/4, -y, z-3/4'
'-x, y-3/4, z-3/4'
'-x, -y+1/2, -z+1/2'
'x-3/4, y-1/4, -z+1/2'
'x-3/4, -y+1/2, z-1/4'
'-x, y-1/4, z-1/4'
'-x+1/2, -y, -z+1/2'
'x-1/4, y-3/4, -z+1/2'
'x-1/4, -y, z-1/4'
'-x+1/2, y-3/4, z-1/4'
'-x+1/2, -y+1/2, -z'
'x-1/4, y-1/4, -z'
'x-1/4, -y+1/2, z-3/4'
'-x+1/2, y-1/4, z-3/4'
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
4 0 0 897674.81 894551.13 12435.97 o
8 0 0 225426.36 215022.81 7650.26 o
2 2 0 506406.66 493692.22 4881.48 o
6 2 0 252656.91 254725.05 3828.50 o
0 4 0 1331230.63 1197551.00 15636.28 o
4 4 0 640340.69 648785.00 6372.15 o
8 4 0 190097.78 191561.34 5072.40 o
2 6 0 352024.13 361945.91 4260.36 o
6 6 0 192665.53 187990.14 3697.67 o
0 8 0 474294.03 467322.41 7869.53 o
4 8 0 305497.81 302057.31 4243.02 o
2 10 0 189979.58 190702.67 3263.02 o
6 10 0 121251.09 129357.35 6100.62 o
0 12 0 180711.05 177556.19 4701.56 o
4 12 0 135596.80 145634.66 4080.99 o
1 1 1 202361.31 210135.69 1561.39 o
3 1 1 92709.77 91821.58 976.35 o
5 1 1 104292.38 104980.79 1281.43 o
7 1 1 37280.48 37475.62 1338.89 o
9 1 1 42621.98 43033.54 1633.69 o
1 3 1 121684.09 123542.03 1075.92 o
3 3 1 63606.96 61279.65 934.95 o
5 3 1 82629.09 82082.46 1251.39 o
7 3 1 30278.04 29017.47 1046.75 o
9 3 1 37572.39 36765.29 1561.88 o
1 5 1 144095.84 143626.22 1327.32 o
3 5 1 87043.95 87784.14 1063.14 o
5 5 1 89102.28 87654.76 1370.68 o
7 5 1 37328.83 35876.71 1357.98 o
1 7 1 64554.71 63624.54 908.56 o
3 7 1 42551.99 42455.23 788.80 o
5 7 1 53846.97 54464.74 1161.13 o
7 7 1 22534.84 23673.07 1170.11 o
1 9 1 76443.57 74883.02 1243.64 o
3 9 1 56228.68 57395.61 1227.02 o
5 9 1 56879.91 57458.25 1395.93 o
7 9 1 28557.03 30935.29 1658.14 o
1 11 1 38405.58 37765.55 959.52 o
3 11 1 28361.50 29121.54 1067.15 o
5 11 1 33527.58 36711.56 1348.61 o
1 13 1 37980.10 38854.07 1306.03 o
3 13 1 30419.49 28910.84 1136.56 o
2 0 2 179157.09 185606.38 2070.49 o
6 0 2 94535.79 92787.57 3168.24 o
0 2 2 224291.94 228357.64 2470.11 o
2 2 2 5.72 -8.39 94.31 o
4 2 2 126031.52 125045.29 1385.71 o
6 2 2 5.85 -136.03 185.37 o
8 2 2 48285.09 48698.70 1678.48 o
2 4 2 125674.31 128582.91 1278.65 o
4 4 2 18.26 204.10 133.72 o
6 4 2 76227.14 74185.38 1444.70 o
8 4 2 11.29 -89.42 403.34 o
0 6 2 150033.17 148613.31 2031.32 o
2 6 2 15.93 166.84 108.80 o
4 6 2 98826.77 98656.13 1407.85 o
6 6 2 29.22 -233.69 249.09 o
8 6 2 41448.34 42606.34 1921.84 o
2 8 2 64553.69 64102.61 1048.99 o
4 8 2 27.68 2.89 205.74 o
6 8 2 44743.77 44884.66 1473.36 o
0 10 2 84770.77 84109.09 1975.33 o
2 10 2 10.93 81.27 210.10 o
4 10 2 62723.65 64368.84 1532.62 o
6 10 2 34.50 -13.79 478.61 o
2 12 2 30495.26 30539.25 1055.68 o
4 12 2 25.98 -24.79 355.53 o
1 1 3 85745.03 94912.51 824.25 o
3 1 3 61973.05 65067.62 769.89 o
5 1 3 48183.84 46932.99 861.16 o
7 1 3 27405.09 26536.86 974.51 o
9 1 3 18750.68 16804.43 1118.75 o
1 3 3 57807.54 62273.31 739.03 o
3 3 3 45903.79 45978.69 722.26 o
5 3 3 38010.35 37470.79 818.44 o
7 3 3 22377.85 20980.13 843.27 o
9 3 3 15663.37 16441.21 1099.16 o
1 5 3 72161.14 74434.13 904.25 o
3 5 3 56380.38 57428.48 741.78 o
5 5 3 43180.51 42500.91 920.21 o
7 5 3 25669.06 24676.25 939.20 o
1 7 3 37806.08 37381.98 740.46 o
3 7 3 31262.73 31050.18 702.90 o
5 7 3 25446.92 25820.54 794.31 o
7 7 3 15840.54 14825.46 1055.61 o
1 9 3 39890.57 39389.90 879.93 o
3 9 3 33362.25 33240.56 875.24 o
5 9 3 27119.15 27423.13 976.84 o
7 9 3 17911.19 18598.49 1397.42 o
1 11 3 22612.27 22202.70 773.38 o
3 11 3 19212.16 18661.05 817.02 o
5 11 3 15891.07 16882.15 952.59 o
1 13 3 17937.26 19395.35 977.44 o
0 0 4 249616.55 269065.66 3723.29 o
4 0 4 149588.59 153039.44 2122.05 o
8 0 4 64733.99 60525.48 3283.37 o
2 2 4 150196.70 152816.23 1396.95 o
4 2 4 10.45 -63.26 139.13 o
6 2 4 74448.98 73397.03 1412.99 o
8 2 4 4.47 330.54 327.30 o
0 4 4 160409.56 163997.53 2249.85 o
2 4 4 15.51 86.52 85.98 o
4 4 4 113914.23 115508.85 1321.26 o
6 4 4 23.47 437.80 244.27 o
8 4 4 54512.93 52657.86 1886.62 o
2 6 4 117106.05 115809.21 1231.20 o
4 6 4 39.90 30.79 151.92 o
6 6 4 62391.57 59708.21 1629.68 o
8 6 4 26.72 335.27 654.74 o
0 8 4 76384.34 73680.04 1653.96 o
2 8 4 16.51 8.35 162.66 o
4 8 4 61441.08 62502.04 1314.71 o
6 8 4 50.12 10.53 314.74 o
2 10 4 72501.02 72127.77 1432.76 o
4 10 4 36.05 47.59 266.78 o
6 10 4 43794.56 47182.08 1887.54 o
0 12 4 35224.21 34153.81 1475.46 o
2 12 4 12.39 47.13 259.68 o
4 12 4 29924.52 32258.25 1222.11 o
1 1 5 163403.02 170569.98 1337.86 o
3 1 5 153605.08 158096.42 1416.66 o
5 1 5 65373.46 65464.93 1157.45 o
7 1 5 66940.86 65659.17 1502.46 o
9 1 5 27322.21 28649.03 1395.80 o
1 3 5 103671.66 103725.84 999.28 o
3 3 5 110820.49 110294.98 1301.10 o
5 3 5 50481.60 48573.98 1151.14 o
7 3 5 57044.16 55358.64 1389.13 o
9 3 5 23042.97 22926.25 1288.96 o
1 5 5 131802.70 132714.13 1303.09 o
3 5 5 124384.72 123272.41 1308.06 o
5 5 5 63302.66 62697.30 1275.00 o
7 5 5 60347.77 58863.82 1560.72 o
1 7 5 59757.56 58204.05 881.39 o
3 7 5 65124.47 65768.08 1055.56 o
5 7 5 35412.21 34949.26 1073.94 o
7 7 5 40936.90 40681.16 1444.90 o
1 9 5 74937.36 74378.18 1250.10 o
3 9 5 72548.23 74353.41 1840.78 o
5 9 5 45085.22 45178.80 1396.64 o
7 9 5 42034.58 45808.29 2023.51 o
1 11 5 36439.66 37021.21 1104.27 o
3 11 5 38721.59 40586.19 1196.51 o
5 11 5 23640.64 23665.93 1233.78 o
1 13 5 38233.73 38307.36 1412.02 o
2 0 6 1340517.50 1339433.63 23482.99 o
6 0 6 391552.69 392710.22 5850.75 o
0 2 6 495547.44 497651.88 5637.60 o
2 2 6 0.21 -93.82 93.82 o
4 2 6 343375.91 346345.34 2951.13 o
6 2 6 0.21 88.72 204.67 o
8 2 6 149456.31 145245.48 3045.50 o
2 4 6 882383.56 887381.00 6069.53 o
4 4 6 2.24 235.14 135.98 o
6 4 6 314506.34 315299.28 3623.39 o
8 4 6 1.57 37.22 396.00 o
0 6 6 346454.00 344526.19 3840.31 o
2 6 6 0.62 1.54 115.23 o
4 6 6 250155.69 249746.88 2485.55 o
6 6 6 1.20 222.63 298.31 o
8 6 6 121197.25 125888.39 3443.60 o
2 8 6 373797.13 376871.84 3564.59 o
4 8 6 3.81 332.64 244.83 o
6 8 6 183450.16 186535.11 3320.61 o
0 10 6 187751.81 185208.92 3634.00 o
2 10 6 0.52 59.18 225.49 o
4 10 6 148196.52 148998.97 2811.06 o
6 10 6 1.79 415.94 442.32 o
2 12 6 155426.98 154716.08 2539.98 o
4 12 6 3.62 -47.47 390.88 o
1 1 7 104801.89 105903.13 1011.91 o
3 1 7 116356.71 116374.73 1316.31 o
5 1 7 44444.36 43349.95 975.92 o
7 1 7 57425.29 57585.56 1424.42 o
9 1 7 20058.60 19518.65 1319.83 o
1 3 7 70291.98 68244.97 817.39 o
3 3 7 86531.16 86819.29 1070.75 o
5 3 7 34707.16 34654.82 894.92 o
7 3 7 49242.06 48450.55 1552.44 o
9 3 7 16778.91 21253.30 1504.91 o
1 5 7 92069.70 90845.60 968.42 o
3 5 7 96831.92 97144.07 1120.66 o
5 5 7 45076.73 42583.65 1052.05 o
7 5 7 52047.29 52352.35 1653.35 o
1 7 7 45125.59 43297.23 779.14 o
3 7 7 53688.74 54450.84 1007.28 o
5 7 7 25873.83 24866.08 916.87 o
7 7 7 35876.39 35345.07 1364.84 o
1 9 7 56631.41 56183.41 1127.78 o
3 9 7 58767.25 58012.44 1252.42 o
5 9 7 33707.39 33498.89 1212.35 o
1 11 7 29648.70 27733.75 965.45 o
3 11 7 33324.66 31055.54 1157.58 o
5 11 7 18326.18 18648.29 1429.16 o
1 13 7 29980.75 29804.71 1085.16 o
0 0 8 130715.55 132475.61 2336.65 o
4 0 8 104003.74 108583.45 1951.08 o
8 0 8 53974.46 53977.75 2180.61 o
2 2 8 167757.70 175651.23 1506.44 o
4 2 8 3.26 221.97 159.27 o
6 2 8 73416.16 72492.65 1451.50 o
8 2 8 1.54 -81.55 315.73 o
0 4 8 98588.54 97136.73 1526.86 o
2 4 8 3.14 38.79 95.73 o
4 4 8 82105.65 81419.77 1267.42 o
6 4 8 5.60 331.64 255.24 o
8 4 8 45536.69 49825.01 1630.34 o
2 6 8 122780.01 122509.04 1376.93 o
4 6 8 14.14 150.58 183.13 o
6 6 8 60472.25 57119.76 1875.80 o
8 6 8 9.66 399.29 405.73 o
0 8 8 53978.17 52626.45 1397.53 o
2 8 8 4.26 -43.28 164.57 o
4 8 8 46358.67 46717.45 1213.31 o
6 8 8 14.05 -38.13 352.80 o
2 10 8 72751.78 70394.87 1648.69 o
4 10 8 14.47 365.38 301.46 o
6 10 8 41844.93 42165.66 1780.91 o
0 12 8 26088.24 28210.74 1506.90 o
2 12 8 4.03 284.94 271.00 o
1 1 9 61591.32 63406.95 762.29 o
3 1 9 60344.84 60971.27 845.12 o
5 1 9 33258.20 32316.85 894.60 o
7 1 9 29401.45 33355.02 1102.35 o
9 1 9 13449.09 13307.63 1297.83 o
1 3 9 45684.13 46651.58 658.60 o
3 3 9 46520.06 45892.18 669.71 o
5 3 9 26641.42 26452.38 817.43 o
7 3 9 24329.52 24230.03 1006.24 o
1 5 9 55999.99 55510.37 771.63 o
3 5 9 52882.23 51821.43 877.26 o
5 5 9 31181.44 31156.02 921.04 o
7 5 9 27062.46 25922.75 1125.01 o
1 7 9 31124.50 30448.40 677.79 o
3 7 9 30365.42 29891.44 745.33 o
5 7 9 18757.36 19668.07 838.79 o
7 7 9 17103.56 18072.13 1162.45 o
1 9 9 33150.88 34070.38 982.50 o
3 9 9 31593.93 29375.07 935.67 o
5 9 9 20936.15 22751.08 1023.34 o
1 11 9 19157.33 17736.94 814.26 o
3 11 9 18404.89 19961.36 876.07 o
2 0 10 182992.86 182820.77 2047.74 o
6 0 10 91340.98 87550.45 2325.27 o
0 2 10 112209.15 116498.21 1473.29 o
2 2 10 3.84 110.22 96.47 o
4 2 10 84502.21 82667.60 1143.60 o
6 2 10 6.11 349.93 289.43 o
8 2 10 41528.85 42474.39 1425.59 o
2 4 10 135886.42 137451.83 1359.08 o
4 4 10 22.48 -71.33 165.34 o
6 4 10 75169.20 74204.16 1612.49 o
8 4 10 19.46 -52.91 365.15 o
0 6 10 94759.11 91296.69 1790.26 o
2 6 10 13.73 166.87 155.83 o
4 6 10 71430.47 71643.30 1307.24 o
6 6 10 32.79 -266.31 266.31 o
2 8 10 70992.63 70913.91 1341.04 o
4 8 10 40.73 29.52 252.64 o
6 8 10 45899.39 46149.82 1676.23 o
0 10 10 62997.30 61450.12 1909.33 o
2 10 10 11.64 -142.88 233.45 o
4 10 10 49810.64 49747.65 1727.26 o
2 12 10 34118.72 34911.00 1152.91 o
1 1 11 137486.97 138020.30 1233.59 o
3 1 11 93463.28 93541.79 1070.40 o
5 1 11 85282.32 85876.16 1627.38 o
7 1 11 42616.39 44315.90 1382.49 o
1 3 11 100231.14 99639.23 1067.73 o
3 3 11 70714.82 69369.60 1031.97 o
5 3 11 70102.41 68582.84 1309.12 o
7 3 11 35429.99 33861.02 1205.57 o
1 5 11 116859.12 117055.45 1261.75 o
3 5 11 85943.24 84235.54 1233.15 o
5 5 11 76158.86 74791.61 1587.74 o
7 5 11 41249.32 42690.04 1476.53 o
1 7 11 60849.17 59445.89 1061.31 o
3 7 11 46590.04 47027.06 1000.27 o
5 7 11 48098.97 51217.30 1382.86 o
7 7 11 25884.87 28187.64 1346.34 o
1 9 11 71237.02 68107.79 1443.22 o
3 9 11 57543.79 58804.17 1366.00 o
5 9 11 51672.96 54572.45 1844.71 o
1 11 11 36662.06 35715.26 1121.98 o
3 11 11 29543.68 29226.43 1132.75 o
0 0 12 882560.56 875188.44 11515.75 o
4 0 12 488670.78 495240.03 5612.45 o
8 0 12 165881.08 171635.92 5032.56 o
2 2 12 327107.94 339470.38 2562.05 o
4 2 12 0.57 197.48 165.82 o
6 2 12 181852.30 175797.75 2831.86 o
8 2 12 0.35 -419.59 450.81 o
0 4 12 629879.63 633060.19 8139.64 o
2 4 12 2.23 202.92 126.96 o
4 4 12 381754.16 378977.81 3632.49 o
6 4 12 5.60 -206.65 261.79 o
8 4 12 142234.66 139823.53 2963.76 o
2 6 12 240258.66 236373.47 2417.16 o
4 6 12 2.94 -188.29 188.29 o
6 6 12 144543.02 138376.19 2880.18 o
0 8 12 300933.41 299038.63 4243.78 o
2 8 12 3.80 482.63 219.54 o
4 8 12 212248.61 216804.25 3190.36 o
6 8 12 13.77 -18.30 389.28 o
2 10 12 143453.52 139843.33 2301.67 o
4 10 12 4.02 51.98 350.21 o
0 12 12 133757.06 131201.42 3527.18 o
2 12 12 3.62 -52.60 317.44 o
1 1 13 75285.70 74051.41 838.37 o
3 1 13 45877.85 45420.91 779.48 o
5 1 13 58968.20 58508.90 1349.36 o
7 1 13 22767.78 23266.81 1030.85 o
1 3 13 57919.53 56950.34 802.82 o
3 3 13 35964.47 34714.95 741.81 o
5 3 13 49572.99 46101.14 1146.44 o
7 3 13 18849.84 20422.28 1059.74 o
1 5 13 67812.36 65838.43 1006.31 o
3 5 13 45609.18 46397.09 959.30 o
5 5 13 53434.81 53004.98 1289.51 o
7 5 13 23016.60 22772.59 1309.17 o
1 7 13 39411.16 39943.73 883.04 o
3 7 13 26742.91 26347.10 849.84 o
5 7 13 35634.17 35356.60 1102.54 o
7 7 13 14395.04 11308.07 2928.85 o
1 9 13 44797.05 45670.96 1134.82 o
3 9 13 33389.05 34156.05 1160.01 o
5 9 13 37151.98 38724.96 1563.39 o
1 11 13 26098.79 26158.92 973.38 o
3 11 13 18944.91 22520.52 1046.64 o
2 0 14 83659.61 81484.27 1429.13 o
6 0 14 57136.50 52557.34 2106.35 o
0 2 14 137034.30 136264.30 2008.06 o
2 2 14 0.29 109.16 121.95 o
4 2 14 89389.78 90097.23 1369.78 o
6 2 14 0.54 332.94 295.77 o
8 2 14 35514.02 37043.41 1478.69 o
2 4 14 67147.27 66990.63 981.31 o
4 4 14 0.65 40.85 180.82 o
6 4 14 47532.68 44529.27 1376.89 o
0 6 14 102856.38 104092.18 2088.82 o
2 6 14 1.35 -57.56 172.61 o
4 6 14 71443.09 72260.55 1456.40 o
6 6 14 3.27 -228.32 346.53 o
2 8 14 38792.98 38428.05 970.41 o
4 8 14 1.93 1.95 301.27 o
6 8 14 29475.04 30093.92 1916.59 o
0 10 14 63369.35 60963.40 2148.34 o
2 10 14 1.49 -9.18 254.51 o
4 10 14 47664.74 48518.09 1674.24 o
1 1 15 47499.74 46734.78 724.60 o
3 1 15 32887.46 33010.51 690.51 o
5 1 15 34803.77 33622.15 987.26 o
7 1 15 15351.44 16605.10 1062.81 o
1 3 15 37548.53 36231.63 695.24 o
3 3 15 26373.45 25669.40 662.95 o
5 3 15 28661.30 29427.43 947.38 o
7 3 15 12707.72 13936.29 1039.58 o
1 5 15 42518.94 42590.58 827.40 o
3 5 15 30824.91 31505.25 858.53 o
5 5 15 31490.38 30971.30 1004.91 o
7 5 15 15009.55 15376.90 1029.79 o
1 7 15 25197.43 23144.16 729.85 o
3 7 15 18603.79 18369.52 776.43 o
5 7 15 19806.38 19230.27 999.50 o
1 9 15 26725.69 24746.46 855.80 o
3 9 15 20708.82 20461.97 889.42 o
5 9 15 21244.22 22505.95 1140.71 o
1 11 15 15801.64 17158.92 945.76 o
0 0 16 147695.50 146143.38 2801.28 o
4 0 16 104771.17 101478.96 2618.17 o
2 2 16 70332.13 68509.62 1184.85 o
4 2 16 3.37 251.60 187.48 o
6 2 16 46548.05 46276.27 1434.03 o
0 4 16 115792.19 114405.99 1981.55 o
2 4 16 5.49 369.76 181.20 o
4 4 16 85811.72 86683.02 1502.97 o
6 4 16 17.87 -84.49 311.30 o
2 6 16 61275.12 61012.16 1243.81 o
4 6 16 17.59 44.29 222.61 o
6 6 16 40775.53 41070.47 1582.61 o
0 8 16 65412.09 63451.58 2004.82 o
2 8 16 10.63 46.70 231.18 o
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