#------------------------------------------------------------------------------
#$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $
#$Revision: 26025 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2012940.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_2012940_Fobs
loop_
_publ_author_name
'Weil, Matthias'
_publ_section_title
;
 The ordered hydrocerussite-type structure of
 (PbCO~3~)~2~·BaF~2~
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i132
_journal_page_last               i134
_journal_volume                  58
_journal_year                    2002
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   5.1865
_cell_length_b                   5.1865
_cell_length_c                   23.4881
_exptl_crystal_F_000             894.00
_reflns_d_resolution_high        0.7161
_[local]_cod_data_source_file    iz1024Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title
' (PbCO3)2.BaF2 mit absorptionskorrigiertem Datensatz \"uber Habitus'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            592.18
_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'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
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 2 0 299130.56 295589.00 3486.27 o
0 3 0 165851.69 164122.33 2278.46 o
-2 4 0 178611.13 169494.75 2831.34 o
-1 5 0 80937.08 81352.02 1252.55 o
-3 6 0 63090.32 63920.05 1764.08 o
0 6 0 43004.69 43654.10 972.79 o
-2 7 0 31380.28 35657.32 2512.12 o
-1 1 1 28727.03 30455.47 491.44 o
0 2 1 31038.67 31571.74 438.88 o
-2 3 1 29980.64 29748.67 330.11 o
-4 4 1 13040.83 13014.04 388.19 o
-1 4 1 12769.86 12590.62 158.45 o
-3 5 1 5737.25 5893.95 89.09 o
0 5 1 11349.81 11303.61 370.92 o
-5 6 1 6135.11 6172.37 177.63 o
-2 6 1 5985.92 6048.13 170.77 o
-4 7 1 5707.33 5866.60 184.76 o
0 1 2 49221.55 49015.02 913.76 o
-2 2 2 97417.20 99795.45 950.53 o
-1 3 2 37268.19 37540.52 313.12 o
-3 4 2 27981.86 28350.11 372.84 o
0 4 2 35452.25 34785.58 720.16 o
-5 5 2 15131.15 15938.78 856.33 o
-2 5 2 17763.00 17956.95 232.51 o
-4 6 2 18603.66 18398.62 431.33 o
-1 6 2 14610.31 14128.12 392.25 o
-3 7 2 10506.66 10272.35 328.58 o
0 0 3 13867.23 12175.21 809.30 o
-1 2 3 5901.29 5869.42 67.83 o
-3 3 3 2266.53 2427.64 54.46 o
0 3 3 10967.33 11483.37 184.92 o
-2 4 3 7622.23 7658.35 69.87 o
-4 5 3 6844.82 6817.83 121.00 o
-1 5 3 3018.56 3143.02 56.08 o
-6 6 3 3931.20 3831.59 152.10 o
-3 6 3 4360.58 4239.49 114.82 o
0 6 3 3275.69 3369.78 225.40 o
-5 7 3 1471.42 1470.04 84.99 o
-2 7 3 4874.63 4928.71 225.51 o
-1 1 4 147576.81 146829.98 3175.47 o
0 2 4 179469.84 183398.58 2540.66 o
-2 3 4 78598.38 76120.21 927.30 o
-4 4 4 62909.04 62894.68 1698.34 o
-1 4 4 60227.66 59293.68 795.99 o
-3 5 4 41129.68 40648.20 461.04 o
0 5 4 24257.96 25057.68 664.80 o
-5 6 4 22916.68 22627.86 564.79 o
-2 6 4 30727.11 30469.33 769.72 o
-4 7 4 14705.78 15787.78 500.25 o
0 1 5 231962.25 250872.59 7815.62 o
-2 2 5 196569.75 196664.98 2819.11 o
-1 3 5 113274.14 110460.42 1007.44 o
-3 4 5 93220.15 92332.66 1391.73 o
0 4 5 81554.90 78020.51 1633.82 o
-5 5 5 37201.95 38043.95 1844.83 o
-2 5 5 72590.55 70070.16 1291.77 o
-4 6 5 43959.88 44302.54 1135.22 o
-1 6 5 34329.36 34284.54 796.49 o
-3 7 5 22780.96 24145.34 905.27 o
0 0 6 4826.92 4291.24 157.74 o
-1 2 6 2127.79 2635.79 59.71 o
-3 3 6 263.36 549.37 56.14 o
0 3 6 1992.73 1972.33 48.81 o
-2 4 6 681.81 963.34 41.36 o
-4 5 6 176.25 455.97 60.06 o
-1 5 6 92.84 575.29 110.17 o
-6 6 6 236.44 383.38 63.27 o
-3 6 6 133.60 292.50 37.12 o
0 6 6 329.71 346.63 41.90 o
-1 1 7 36825.78 36273.81 631.85 o
0 2 7 61947.12 62241.86 1118.05 o
-2 3 7 41335.77 41646.89 422.08 o
-4 4 7 30970.42 30851.50 1144.15 o
-1 4 7 26571.13 26431.92 378.66 o
-3 5 7 16321.41 16286.83 257.36 o
0 5 7 21246.48 20479.64 630.29 o
-5 6 7 16502.64 15765.88 586.82 o
-2 6 7 17992.79 17158.42 423.19 o
-4 7 7 14067.40 13498.49 782.18 o
0 1 8 668.06 1183.00 48.77 o
-2 2 8 4069.21 4216.85 43.84 o
-1 3 8 210.65 574.00 60.61 o
-3 4 8 26.36 198.73 21.47 o
0 4 8 1018.72 1080.39 52.20 o
-5 5 8 152.32 517.64 135.19 o
-2 5 8 175.89 400.78 35.47 o
-4 6 8 224.90 294.49 22.00 o
-1 6 8 119.25 187.24 22.62 o
-3 7 8 70.36 39.43 95.42 o
0 0 9 350672.47 463037.13 24067.63 o
-1 2 9 189873.33 191377.97 3503.74 o
-3 3 9 105949.23 100127.25 2188.39 o
0 3 9 131001.34 131300.78 2401.76 o
-2 4 9 119415.60 118385.55 1467.50 o
-4 5 9 65806.46 65092.04 1639.15 o
-1 5 9 56468.34 57191.55 1386.21 o
-6 6 9 33111.16 32800.79 404.22 o
-3 6 9 47604.36 48365.89 1030.04 o
0 6 9 31802.89 32669.06 2615.17 o
-1 1 10 122665.94 125600.95 2100.06 o
0 2 10 68175.41 69739.14 1652.39 o
-2 3 10 83439.10 82122.18 1041.89 o
-4 4 10 32730.96 33420.00 1456.85 o
-1 4 10 45104.64 44926.75 680.75 o
-3 5 10 28922.17 29100.35 474.50 o
0 5 10 30379.79 29835.60 1063.31 o
-5 6 10 17745.73 18540.66 674.47 o
-2 6 10 17329.01 17694.43 471.01 o
0 1 11 22145.81 22017.82 460.24 o
-2 2 11 35512.66 34525.25 601.35 o
-1 3 11 11973.79 11787.92 144.74 o
-3 4 11 12331.03 12415.63 215.54 o
0 4 11 14563.49 14481.24 605.99 o
-5 5 11 4564.61 5198.69 354.75 o
-2 5 11 9880.91 10072.32 231.49 o
-4 6 11 8391.94 8554.08 272.55 o
-1 6 11 5952.94 5931.41 230.24 o
0 0 12 22111.09 22617.82 1077.58 o
-1 2 12 31790.10 31812.38 514.58 o
-3 3 12 18063.28 17546.03 383.20 o
0 3 12 29894.13 29978.49 606.63 o
-2 4 12 15051.33 15599.89 238.00 o
-4 5 12 16090.81 15518.40 470.63 o
-1 5 12 11268.58 12006.70 509.51 o
-3 6 12 10336.11 10288.99 297.53 o
-1 1 13 43214.09 42858.94 991.89 o
0 2 13 60640.88 62898.14 1900.02 o
-2 3 13 30600.60 29744.99 500.75 o
-4 4 13 22932.48 22460.31 1036.27 o
-1 4 13 19648.87 19246.98 312.65 o
-3 5 13 10972.19 11269.61 246.73 o
0 5 13 9998.98 11133.24 576.35 o
-5 6 13 8319.14 9115.97 425.56 o
-2 6 13 10596.90 11007.43 234.78 o
0 1 14 194114.36 222546.94 6284.86 o
-2 2 14 134007.91 128664.86 2247.79 o
-1 3 14 113352.58 114528.20 1698.90 o
-3 4 14 89103.97 86824.72 1919.01 o
0 4 14 68563.00 70019.24 3070.33 o
-5 5 14 41615.89 43297.35 3052.05 o
-2 5 14 72758.35 72978.44 1149.81 o
-4 6 14 40097.55 42407.72 1319.76 o
-1 6 14 34228.66 34664.61 1506.58 o
0 0 15 2756.26 3109.88 200.14 o
-1 2 15 12118.22 11905.70 265.96 o
-3 3 15 9634.55 8697.70 192.63 o
0 3 15 7945.48 7494.32 160.90 o
-2 4 15 2585.93 2713.68 85.07 o
-4 5 15 3338.80 3372.64 143.44 o
-1 5 15 3997.97 4255.09 142.13 o
-3 6 15 2035.67 2077.98 64.07 o
-1 1 16 23875.46 24378.57 555.36 o
0 2 16 21325.73 22955.65 563.46 o
-2 3 16 25352.33 24971.29 546.62 o
-4 4 16 15059.90 14929.02 889.47 o
-1 4 16 16285.78 16174.32 440.42 o
-3 5 16 11213.93 11065.66 306.19 o
0 5 16 15866.62 16413.04 627.08 o
-2 6 16 10210.42 9685.29 347.97 o
0 1 17 5729.40 5661.70 229.17 o
-2 2 17 805.23 790.86 25.21 o
-1 3 17 4352.40 4415.23 125.33 o
-3 4 17 2930.35 3021.13 97.93 o
0 4 17 1175.73 1321.96 57.14 o
-5 5 17 2939.27 3050.77 267.10 o
-2 5 17 2989.40 3111.45 117.07 o
-4 6 17 1219.48 1284.06 74.56 o
0 0 18 81723.79 82266.84 1404.49 o
-1 2 18 68424.90 68679.36 1431.56 o
-3 3 18 42514.55 39512.92 939.63 o
0 3 18 56385.24 55935.70 1496.87 o
-2 4 18 42104.55 41058.89 718.36 o
-4 5 18 30769.90 30075.98 1010.17 o
-1 5 18 24461.02 25810.28 877.53 o
-3 6 18 21146.38 19440.84 1123.70 o
-1 1 19 116335.40 126641.19 4371.70 o
0 2 19 72161.14 76147.36 2357.72 o
-2 3 19 79836.77 77240.23 1213.30 o
-4 4 19 39409.61 38576.14 2124.68 o
-1 4 19 54411.73 54998.48 1250.05 o
-3 5 19 41674.63 41477.84 749.52 o
0 5 19 32961.80 36155.48 1877.61 o
0 1 20 689.05 727.34 46.83 o
-2 2 20 755.58 794.98 35.68 o
-1 3 20 257.44 443.59 41.47 o
-3 4 20 767.79 762.66 35.76 o
0 4 20 669.25 909.75 46.36 o
-2 5 20 1240.46 1273.07 57.18 o
0 0 21 22002.07 21603.39 1301.45 o
-1 2 21 30215.20 30590.60 550.58 o
-3 3 21 22560.91 22199.24 567.76 o
0 3 21 24815.09 25112.94 682.93 o
-2 4 21 14655.88 14551.54 326.57 o
-4 5 21 14641.35 13978.73 445.65 o
-1 5 21 13597.57 14194.97 509.90 o
-1 1 22 3376.55 3419.60 114.11 o
0 2 22 4519.62 4652.06 145.72 o
-2 3 22 3395.19 3276.67 48.40 o
-4 4 22 1812.73 1773.74 84.14 o
-1 4 22 1470.67 1543.06 39.27 o
-3 5 22 426.77 456.95 30.06 o
0 1 23 107561.99 114966.40 3587.62 o
-2 2 23 73816.17 75611.98 2195.67 o
-1 3 23 73803.39 74375.66 1685.70 o
-3 4 23 55349.04 52311.95 963.40 o
0 4 23 41644.50 44961.31 1399.57 o
-2 5 23 44790.72 46232.48 1811.41 o
0 0 24 22126.95 24180.20 2182.41 o
-1 2 24 23313.51 23783.41 457.66 o
-3 3 24 20138.30 20083.41 661.85 o
0 3 24 15345.45 15999.11 518.17 o
-2 4 24 12879.77 12414.53 254.26 o
-1 1 25 10592.48 10707.16 310.75 o
0 2 25 6376.05 6312.31 203.97 o
-2 3 25 9858.97 9875.14 174.30 o
-4 4 25 5076.53 4611.49 203.25 o
-1 4 25 6921.21 7206.78 210.72 o
0 1 26 7064.66 7257.11 291.54 o
-2 2 26 4851.99 4871.79 204.60 o
-1 3 26 7336.30 7375.36 152.02 o
-3 4 26 5197.21 5120.26 114.41 o
0 0 27 15877.72 17097.67 1323.70 o
-1 2 27 17853.92 18325.72 411.27 o
-3 3 27 12184.98 12495.95 242.17 o
0 3 27 15185.33 15904.98 564.28 o
-2 4 27 9334.44 8883.53 224.57 o
-1 1 28 66982.70 69532.30 2477.61 o
0 2 28 49847.13 48050.58 1537.44 o
-2 3 28 48151.77 46445.68 937.31 o
0 1 29 2797.01 2934.68 115.61 o
-2 2 29 3734.69 4027.40 175.88 o
-1 3 29 2439.59 2295.23 73.75 o
0 0 30 11012.23 10589.57 589.58 o
-1 2 30 13402.10 12892.40 280.08 o
-1 1 31 663.19 665.28 33.72 o
0 2 31 879.15 807.02 111.79 o
0 1 32 38743.48 36735.74 1987.68 o