#------------------------------------------------------------------------------
#$Date: 2011-03-09 10:38:09 +0200 (Wed, 09 Mar 2011) $
#$Revision: 14261 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2229261.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_2229261_Fobs
loop_
_publ_author_name
'Oh, George N.'
'Ibers, James A.'
_publ_section_title
;
 Cs~2~UPd~3~Se~6~
;
_journal_coeditor_code           WM2437
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i9
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   10.1034
_cell_length_b                   15.5046
_cell_length_c                   17.5503
_exptl_crystal_F_000             4352.00
_reflns_d_resolution_high        0.7433
_[local]_cod_data_source_file    wm2437Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Cs2UPd3Se6 in Fmmm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            2099.08
_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'
'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'
'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'
'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'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-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'
'-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'
'-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'
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
2 0 0 20576.56 20219.70 589.77 o
4 0 0 1689952.62 1793895.25 41717.33 o
6 0 0 3743516.75 4013807.00 93322.55 o
8 0 0 92780.12 91858.15 2825.11 o
10 0 0 609663.19 590339.69 16552.13 o
12 0 0 1182156.62 1161504.38 53492.24 o
0 2 0 1544026.50 1585834.75 41721.91 o
2 2 0 28674.33 29700.53 556.16 o
4 2 0 153155.23 155564.17 2650.04 o
6 2 0 1842533.38 1910194.00 31422.11 o
8 2 0 126553.61 130054.62 2510.45 o
10 2 0 81828.94 80875.94 2059.23 o
12 2 0 165475.48 165015.28 4995.62 o
0 4 0 514870.12 447350.44 17699.62 o
2 4 0 7526.51 9292.04 261.28 o
4 4 0 7747.01 9163.30 297.76 o
6 4 0 45073.79 45566.59 913.63 o
8 4 0 449687.09 445844.28 8786.65 o
10 4 0 439392.25 429494.28 10494.20 o
12 4 0 625096.75 603618.06 14687.87 o
0 6 0 200282.39 179122.28 4480.09 o
2 6 0 387429.91 353168.66 6558.15 o
4 6 0 128763.26 127463.71 2271.56 o
6 6 0 942721.88 955878.75 16966.62 o
8 6 0 9620.74 10208.19 689.92 o
10 6 0 1422.81 5375.15 1708.67 o
12 6 0 225193.67 217225.77 5724.67 o
0 8 0 4274957.50 4240791.50 98430.02 o
2 8 0 338277.53 322659.50 5901.16 o
4 8 0 182198.02 182282.34 3476.87 o
6 8 0 945545.00 960303.69 22353.74 o
8 8 0 4249.22 6529.71 703.71 o
10 8 0 41064.55 41511.48 1612.06 o
12 8 0 469569.12 413658.44 21908.37 o
0 10 0 3506281.50 3558535.75 82605.10 o
2 10 0 245322.75 250332.19 5324.78 o
4 10 0 156631.70 156863.05 3405.54 o
6 10 0 3142864.75 3314900.00 77457.53 o
8 10 0 9998.80 9816.21 918.16 o
10 10 0 723659.38 719062.88 28243.37 o
0 12 0 484103.59 469375.31 11228.00 o
2 12 0 34606.87 36015.56 1331.39 o
4 12 0 8741.08 8662.95 869.18 o
6 12 0 73130.20 82259.41 3629.64 o
8 12 0 80812.68 85610.30 3051.71 o
10 12 0 125114.79 128108.19 4228.89 o
0 14 0 12108.68 8798.45 1193.07 o
2 14 0 193214.11 187943.78 3959.52 o
4 14 0 133105.30 139017.78 4773.45 o
6 14 0 194772.27 200577.05 4895.22 o
8 14 0 16590.62 17296.80 1579.30 o
0 16 0 892593.00 848596.06 27297.28 o
2 16 0 12378.38 15160.69 1588.52 o
4 16 0 70998.15 67110.75 2155.89 o
6 16 0 247740.69 255821.89 9029.19 o
0 18 0 844811.00 765913.19 24767.85 o
2 18 0 1842.55 2114.73 877.24 o
4 18 0 3531.54 4069.35 1524.02 o
6 18 0 901657.88 1012651.56 35749.23 o
0 20 0 939071.62 825868.56 26700.38 o
2 20 0 2555.95 1811.58 1815.03 o
1 1 1 67070.65 67734.31 909.25 o
3 1 1 176702.42 187642.42 2229.86 o
5 1 1 340299.88 341424.62 4030.35 o
7 1 1 73844.05 75063.30 1019.74 o
9 1 1 770.88 1863.71 246.35 o
11 1 1 119399.56 118011.98 2253.96 o
13 1 1 88965.14 85765.35 2463.53 o
1 3 1 264481.41 254670.61 3933.41 o
3 3 1 905690.50 928341.31 10827.63 o
5 3 1 95878.40 95473.01 1192.84 o
7 3 1 240840.81 240970.20 3020.07 o
9 3 1 201081.59 201545.81 3203.87 o
11 3 1 68862.80 68676.58 1467.92 o
13 3 1 92230.77 90566.23 2740.58 o
1 5 1 46166.00 42310.87 696.95 o
3 5 1 413877.81 410149.78 5005.65 o
5 5 1 170109.91 166515.53 2042.79 o
7 5 1 50351.93 49879.68 867.75 o
9 5 1 22641.73 24621.68 671.08 o
11 5 1 17106.46 17756.99 769.86 o
13 5 1 49364.32 47386.75 2107.81 o
1 7 1 231722.66 213851.33 2944.47 o
3 7 1 164246.25 160907.31 2151.30 o
5 7 1 266302.59 276960.53 3722.74 o
7 7 1 54821.40 55946.66 1148.52 o
9 7 1 101095.80 100450.88 1833.67 o
11 7 1 130673.80 123017.13 2711.11 o
1 9 1 55155.69 53194.06 1127.97 o
3 9 1 162940.09 162689.94 2266.56 o
5 9 1 320491.22 323406.97 4541.42 o
7 9 1 70842.92 69386.75 1463.39 o
9 9 1 276.93 1061.34 608.60 o
11 9 1 123981.52 122888.60 2999.72 o
1 11 1 9710.21 10979.67 445.16 o
3 11 1 551.55 683.54 608.96 o
5 11 1 46075.99 47670.02 1090.12 o
7 11 1 4700.30 5583.79 592.62 o
9 11 1 5280.79 5707.39 735.93 o
11 11 1 29400.99 33697.03 4533.94 o
1 13 1 58233.39 57083.23 1025.84 o
3 13 1 553845.50 561156.81 9095.56 o
5 13 1 2886.91 3758.53 670.89 o
7 13 1 183435.38 194094.08 4448.73 o
9 13 1 123351.09 127144.76 3074.91 o
1 15 1 1921.26 2606.90 507.99 o
3 15 1 70212.23 69745.89 1357.01 o
5 15 1 11843.20 12554.79 850.73 o
7 15 1 9745.30 9991.97 920.75 o
1 17 1 70177.81 67118.52 1486.30 o
3 17 1 56.59 1243.12 678.17 o
5 17 1 164139.25 165205.95 3292.61 o
7 17 1 276.99 -887.93 887.93 o
1 19 1 15728.04 13079.92 837.34 o
3 19 1 21761.91 20284.14 1353.80 o
5 19 1 80802.17 90590.29 5986.71 o
0 0 2 126469.49 117332.36 2767.87 o
2 0 2 44596.82 48018.95 1148.19 o
4 0 2 297819.78 301539.94 5039.04 o
6 0 2 44800.99 46728.79 906.28 o
8 0 2 523520.00 530352.69 10218.06 o
10 0 2 52768.12 50372.91 1394.64 o
12 0 2 128966.16 129662.09 4026.69 o
0 2 2 38569.46 36912.62 709.71 o
2 2 2 1360191.00 1409109.88 18148.38 o
4 2 2 51007.71 51818.27 680.84 o
6 2 2 529134.06 532358.88 6265.61 o
8 2 2 101089.13 100252.50 1399.91 o
10 2 2 211672.81 211833.23 3583.79 o
12 2 2 19485.90 18754.54 755.48 o
0 4 2 185524.20 164397.73 4680.50 o
2 4 2 396633.03 382117.22 4811.32 o
4 4 2 33622.80 33637.12 463.10 o
6 4 2 84611.96 85295.42 1105.14 o
8 4 2 4915.79 8260.37 572.54 o
10 4 2 45660.61 45944.25 1096.06 o
12 4 2 5044.46 6909.33 616.17 o
0 6 2 95813.70 87870.95 3245.85 o
2 6 2 49651.76 48280.11 737.49 o
4 6 2 125264.94 125468.55 1641.62 o
6 6 2 61539.18 63446.29 1085.69 o
8 6 2 64378.28 64516.30 1192.10 o
10 6 2 26866.97 27684.09 818.97 o
12 6 2 37382.83 38029.17 1221.10 o
0 8 2 557798.00 546322.44 10595.51 o
2 8 2 272371.53 257101.95 3148.73 o
4 8 2 666410.88 676070.31 9169.03 o
6 8 2 34110.06 36258.24 772.26 o
8 8 2 733931.19 737542.00 11659.36 o
10 8 2 4979.48 6552.90 635.36 o
12 8 2 248069.20 223105.19 7043.98 o
0 10 2 69358.79 65583.46 1430.53 o
2 10 2 390865.97 386363.69 5040.41 o
4 10 2 8504.30 10111.67 519.72 o
6 10 2 85002.38 88816.98 1657.84 o
8 10 2 26479.75 32461.60 2451.61 o
10 10 2 25715.88 27849.40 1196.77 o
0 12 2 308661.97 294706.81 5471.57 o
2 12 2 781.92 2176.83 658.07 o
4 12 2 210685.02 204047.05 3345.24 o
6 12 2 3209.64 3308.84 647.02 o
8 12 2 154351.95 160847.64 3086.20 o
10 12 2 719.05 336.45 812.56 o
0 14 2 25693.64 26720.77 1226.21 o
2 14 2 2629.67 2536.45 464.76 o
4 14 2 69080.95 72196.84 1604.84 o
6 14 2 29771.57 31751.29 1153.64 o
8 14 2 66709.06 68888.70 2009.87 o
0 16 2 39588.18 37515.61 1447.13 o
2 16 2 8994.35 9288.72 662.40 o
4 16 2 42075.31 42015.80 1275.41 o
6 16 2 17890.60 17686.18 995.19 o
0 18 2 4872.33 3602.27 879.21 o
2 18 2 393851.97 348741.50 7433.91 o
4 18 2 29442.22 28401.46 1801.14 o
6 18 2 145550.12 159748.20 4336.24 o
0 20 2 33859.23 30831.49 1693.96 o
2 20 2 579.24 1867.61 941.21 o
1 1 3 2919.52 3812.31 179.35 o
3 1 3 1174444.38 1218787.50 14773.50 o
5 1 3 23369.07 24440.83 386.83 o
7 1 3 11494.02 12498.94 312.62 o
9 1 3 535015.56 539294.69 6902.03 o
11 1 3 11623.01 12850.50 605.66 o
13 1 3 8008.77 9638.91 1219.70 o
1 3 3 10531.99 11004.44 337.18 o
3 3 3 1860190.50 1902721.50 22930.17 o
5 3 3 12267.68 13153.62 279.21 o
7 3 3 8825.78 10489.01 346.32 o
9 3 3 619559.69 622531.81 9434.87 o
11 3 3 2705.00 3878.60 442.40 o
13 3 3 10363.68 11627.25 1093.99 o
1 5 3 475954.88 426604.41 5243.99 o
3 5 3 4406141.00 4651833.50 57680.55 o
5 5 3 214093.22 213658.70 2694.99 o
7 5 3 447865.59 448836.97 6214.45 o
9 5 3 1519242.25 1526267.38 24183.81 o
11 5 3 111828.80 105939.65 2330.58 o
1 7 3 16606.56 16025.48 546.46 o
3 7 3 846190.25 834284.81 10811.08 o
5 7 3 6671.21 8780.72 381.21 o
7 7 3 8532.79 10405.76 631.70 o
9 7 3 393937.53 404653.25 7098.39 o
11 7 3 2491.45 4370.31 584.05 o
1 9 3 3221.07 4636.80 375.91 o
3 9 3 437544.44 437828.81 5592.32 o
5 9 3 11466.99 12349.26 553.19 o
7 9 3 24659.84 27207.89 967.76 o
9 9 3 312040.69 315735.66 5378.24 o
11 9 3 5352.25 5703.37 739.92 o
1 11 3 12209.20 14049.91 603.66 o
3 11 3 753092.38 766798.50 10524.72 o
5 11 3 17320.57 19373.17 691.36 o
7 11 3 4949.38 5249.64 654.73 o
9 11 3 424810.94 432820.88 7612.05 o
11 11 3 10001.04 9430.56 4124.79 o
1 13 3 6024.12 7157.73 591.46 o
3 13 3 921261.19 943439.12 14588.87 o
5 13 3 2939.67 3354.16 594.89 o
7 13 3 28934.87 29634.21 1344.96 o
9 13 3 415943.94 440391.22 7447.38 o
1 15 3 122074.23 117971.66 2141.06 o
3 15 3 1154763.00 1177264.75 23167.32 o
5 15 3 74586.97 79924.84 1870.71 o
7 15 3 122097.86 124940.52 3709.73 o
1 17 3 5617.55 6004.28 690.47 o
3 17 3 161334.81 160377.22 4302.54 o
5 17 3 1953.25 1497.49 761.24 o
7 17 3 12990.05 11307.36 1573.08 o
1 19 3 1758.72 577.92 790.09 o
3 19 3 133481.02 120492.27 2793.58 o
5 19 3 2424.58 3172.44 2086.31 o
0 0 4 71399.20 70109.37 2873.62 o
2 0 4 175786.86 176916.36 2989.99 o
4 0 4 317409.72 327392.44 5976.09 o
6 0 4 282153.28 281378.19 5134.90 o
8 0 4 582863.81 577707.81 10420.13 o
10 0 4 93266.05 88217.05 2380.75 o
12 0 4 74435.28 68475.04 2997.29 o
0 2 4 1418871.38 1461268.88 22875.16 o
2 2 4 3837.11 5328.98 148.67 o
4 2 4 472122.78 466163.16 5943.99 o
6 2 4 77309.34 78768.18 1134.51 o
8 2 4 300685.84 296889.09 4151.62 o
10 2 4 1620.32 2379.30 327.12 o
12 2 4 203569.06 196067.59 4170.34 o
0 4 4 377533.31 353064.53 5885.81 o
2 4 4 1170375.25 1122953.50 14462.63 o
4 4 4 42915.55 42225.51 632.71 o
6 4 4 79789.42 80491.33 1185.81 o
8 4 4 200736.22 203052.41 3061.54 o
10 4 4 4880.10 5816.18 444.13 o
12 4 4 20797.64 21765.53 881.28 o
0 6 4 80793.78 73854.78 1991.70 o
2 6 4 19934.96 20029.06 392.88 o
4 6 4 119530.23 120542.08 1637.38 o
6 6 4 24575.32 25253.09 568.31 o
8 6 4 420906.78 421554.72 6437.53 o
10 6 4 115239.38 110754.12 2246.15 o
12 6 4 145938.03 140863.34 3050.77 o
0 8 4 354083.34 334088.16 6970.19 o
2 8 4 115399.27 107620.62 1468.75 o
4 8 4 1631.12 2813.76 281.39 o
6 8 4 651402.19 667358.38 9160.22 o
8 8 4 29307.15 30307.30 911.93 o
10 8 4 249721.91 244464.00 6240.40 o
12 8 4 2284.81 1022.81 1510.37 o
0 10 4 395073.78 383412.09 8114.51 o
2 10 4 455330.81 448532.75 5777.69 o
4 10 4 8855.76 11052.02 501.77 o
6 10 4 2125.42 2190.00 449.73 o
8 10 4 17956.45 19521.87 852.16 o
10 10 4 12610.93 14031.36 882.96 o
0 12 4 375.18 999.94 859.47 o
2 12 4 489085.00 498106.31 7968.61 o
4 12 4 1053.53 406.87 474.28 o
6 12 4 197339.17 197760.48 3319.67 o
8 12 4 75186.66 79172.58 1837.61 o
10 12 4 29086.39 31821.30 1408.12 o
0 14 4 4991.51 6796.56 777.96 o
2 14 4 78488.91 81638.63 1654.97 o
4 14 4 78234.83 79018.38 1762.20 o
6 14 4 19590.60 22904.86 1046.36 o
8 14 4 407568.53 421438.59 8757.46 o
0 16 4 663.47 971.92 823.07 o
2 16 4 62512.74 61091.84 1981.33 o
4 16 4 17819.47 19551.32 1107.64 o
6 16 4 88677.45 92905.75 3004.63 o
8 16 4 1966.84 1136.18 2618.27 o
0 18 4 438411.75 377285.28 10250.69 o
2 18 4 43569.23 42386.14 1811.14 o
4 18 4 80985.78 74770.16 2220.75 o
6 18 4 41797.26 33394.64 4215.93 o
0 20 4 1349.65 2675.09 1805.73 o
2 20 4 4011.70 2040.31 2103.58 o
1 1 5 140971.23 136396.02 1597.48 o
3 1 5 74893.19 72139.14 963.10 o
5 1 5 320900.97 317335.66 3963.66 o
7 1 5 15717.01 15848.75 366.25 o
9 1 5 9964.95 11604.13 420.48 o
11 1 5 57722.56 56042.46 1593.65 o
13 1 5 29326.34 28944.93 2011.17 o
1 3 5 917479.31 904220.50 10620.10 o
3 3 5 48615.10 47347.40 669.55 o
5 3 5 1087548.12 1111482.50 13428.17 o
7 3 5 121891.82 124827.31 1859.94 o
9 3 5 116478.07 110212.26 1867.54 o
11 3 5 403300.62 390401.25 6905.14 o
13 3 5 9303.36 13144.87 2010.91 o
1 5 5 436926.78 410540.88 4849.28 o
3 5 5 193830.59 194693.67 2588.54 o
5 5 5 1007620.69 1001260.00 13012.61 o
7 5 5 4579.43 5551.10 297.74 o
9 5 5 8352.27 10201.28 525.61 o
11 5 5 356338.31 349479.03 6169.59 o
1 7 5 210187.23 200177.30 2461.80 o
3 7 5 151051.42 146366.48 2010.74 o
5 7 5 157056.67 157518.41 2235.11 o
7 7 5 123495.84 124202.25 2023.41 o
9 7 5 57556.62 56341.50 1923.55 o
11 7 5 86206.62 85283.27 1992.88 o
1 9 5 130544.68 124327.37 2058.16 o
3 9 5 92316.38 89992.38 1344.81 o
5 9 5 374299.44 384267.09 5663.42 o
7 9 5 18212.69 18788.27 637.10 o
9 9 5 8585.15 9088.67 692.34 o
11 9 5 82713.61 83202.91 2002.70 o
1 11 5 893.56 2324.08 465.55 o
3 11 5 1386.69 2203.87 485.88 o
5 11 5 3235.53 4977.53 486.72 o
7 11 5 2610.42 2952.02 511.67 o
9 11 5 1931.79 1763.64 672.92 o
1 13 5 534126.12 550933.31 12444.66 o
3 13 5 1025.29 1332.01 553.36 o
5 13 5 893871.69 899818.38 14880.40 o
7 13 5 45035.02 48221.80 1777.00 o
9 13 5 74796.84 75477.27 1879.16 o
1 15 5 91049.00 91297.16 2418.29 o
3 15 5 16116.13 17472.70 1114.14 o
5 15 5 208110.42 207867.52 3730.37 o
7 15 5 772.12 460.06 740.12 o
1 17 5 3014.20 3023.65 843.24 o
3 17 5 87829.43 90863.05 3727.00 o
5 17 5 4077.10 6048.39 1214.30 o
7 17 5 45902.72 46230.28 5679.44 o
1 19 5 20015.14 18394.25 1811.23 o
3 19 5 18360.84 16938.80 2091.25 o
0 0 6 691547.06 639166.81 15010.46 o
2 0 6 2051564.75 2091603.12 32727.65 o
4 0 6 31606.08 31390.16 660.10 o
6 0 6 1791403.50 1823566.38 32489.07 o
8 0 6 415955.75 388857.19 7104.27 o
10 0 6 46491.54 44964.05 1423.38 o
12 0 6 609283.88 573218.31 20508.55 o
0 2 6 1839654.00 1798376.00 28200.34 o
2 2 6 130462.95 129696.44 1615.23 o
4 2 6 41754.88 39599.57 794.75 o
6 2 6 276949.41 279088.84 3668.62 o
8 2 6 74745.55 72966.43 1173.99 o
10 2 6 77433.62 75204.73 1370.09 o
12 2 6 494637.81 480710.00 10669.82 o
0 4 6 2463427.00 2472739.25 40670.55 o
2 4 6 2336.84 3579.41 192.81 o
4 4 6 21118.77 21686.94 400.22 o
6 4 6 2234268.00 2337739.75 30057.76 o
8 4 6 274971.72 275687.00 4129.62 o
10 4 6 321076.88 307942.94 5158.03 o
12 4 6 130610.20 124982.66 3480.59 o
0 6 6 3451547.75 3475585.50 57142.29 o
2 6 6 147188.20 136272.11 1825.07 o
4 6 6 197376.81 197297.89 2650.11 o
6 6 6 753610.62 771637.81 10537.59 o
8 6 6 14523.61 15567.73 567.07 o
10 6 6 13097.44 14974.07 683.22 o
12 6 6 499137.34 485903.47 10898.41 o
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