#------------------------------------------------------------------------------
#$Date: 2016-04-03 06:33:07 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181251 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/29/2232993.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_2232993_Fobs
loop_
_publ_author_name
'Oh, George N.'
'Ibers, James A.'
_publ_section_title
;
 The \b-polymorph of uranium phosphide selenide
;
_journal_coeditor_code           WM2560
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i75
_journal_volume                  67
_journal_year                    2011
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   3.9443
_cell_length_b                   3.9443
_cell_length_c                   16.2836
_exptl_crystal_F_000             564.00
_reflns_d_resolution_high        0.7471
_cod_data_source_file            wm2560Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Beta-UPSe in I4/mmm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            369.55
_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'
'-y, x, z'
'y, -x, z'
'-x, y, -z'
'x, -y, -z'
'y, x, -z'
'-y, -x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, z'
'-y, -x, z'
'y, x, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'
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 120492.67 109273.89 3784.81 o
0 2 0 136570.09 118158.02 1799.81 o
2 2 0 92452.82 83587.69 1835.41 o
1 3 0 64109.90 59052.73 569.39 o
3 3 0 42798.14 38942.95 594.29 o
0 4 0 54409.27 49541.68 824.52 o
2 4 0 42268.40 39165.12 422.09 o
1 5 0 28284.26 26427.95 327.68 o
0 1 1 25140.88 26351.98 285.35 o
1 2 1 17991.01 17532.61 115.75 o
0 3 1 10085.86 9866.10 88.42 o
2 3 1 8836.22 8538.13 57.74 o
1 4 1 9555.62 9240.59 73.95 o
3 4 1 5754.78 5422.80 51.99 o
0 5 1 4176.53 4091.72 58.85 o
0 0 2 1334.60 999.51 83.74 o
1 1 2 12726.14 12907.27 119.60 o
0 2 2 1597.98 1475.27 14.62 o
2 2 2 1604.38 1531.33 15.52 o
1 3 2 4508.42 4472.74 31.73 o
3 3 2 2039.71 1961.71 23.59 o
0 4 2 1099.02 1067.41 16.49 o
2 4 2 1112.32 1104.31 11.93 o
1 5 2 1408.18 1398.70 17.13 o
0 1 3 9799.68 9704.54 110.92 o
1 2 3 5687.82 5601.06 40.54 o
0 3 3 6328.21 6378.78 61.74 o
2 3 3 4404.55 4393.22 32.12 o
1 4 3 2309.47 2310.70 20.84 o
3 4 3 2193.35 2142.95 25.28 o
0 5 3 3343.10 3358.32 49.99 o
0 0 4 62100.89 70402.31 2386.15 o
1 1 4 86572.05 96928.02 1349.64 o
0 2 4 43744.64 45722.54 487.29 o
2 2 4 34161.26 35421.35 340.45 o
1 3 4 40813.28 41785.14 295.24 o
3 3 4 24072.95 24078.31 291.46 o
0 4 4 22193.45 22142.60 222.79 o
2 4 4 19274.24 19342.96 163.13 o
1 5 4 16931.89 16758.79 145.83 o
0 1 5 78861.23 89431.88 1636.96 o
1 2 5 49861.84 52574.44 402.45 o
0 3 5 42671.64 44894.60 482.42 o
2 3 5 31580.70 32682.94 278.26 o
1 4 5 21463.85 21673.36 171.16 o
3 4 5 15695.17 15515.92 155.73 o
0 5 5 18547.12 18227.44 258.64 o
0 0 6 15555.41 17207.94 464.75 o
1 1 6 1770.51 1768.80 26.05 o
0 2 6 8298.90 8446.55 94.23 o
2 2 6 5209.30 5520.88 60.08 o
1 3 6 1552.49 1587.20 17.22 o
3 3 6 1374.22 1461.46 25.52 o
0 4 6 2835.82 2892.75 34.12 o
2 4 6 1909.57 1928.93 21.85 o
0 1 7 41377.72 42832.01 565.86 o
1 2 7 31332.22 32244.51 262.95 o
0 3 7 20068.22 20654.95 227.98 o
2 3 7 17112.03 17686.33 155.98 o
1 4 7 16837.05 16884.21 139.13 o
3 4 7 10475.49 10567.02 106.58 o
0 5 7 8462.26 8395.24 124.42 o
0 0 8 33253.10 37137.84 988.15 o
1 1 8 11341.79 11622.21 167.56 o
0 2 8 21529.45 21892.70 279.60 o
2 2 8 15304.10 16117.47 178.47 o
1 3 8 8330.86 8497.36 90.63 o
3 3 8 6816.47 7079.63 109.93 o
0 4 8 9787.06 10190.63 125.89 o
2 4 8 7626.42 7659.28 84.68 o
0 1 9 34001.39 33409.39 579.52 o
1 2 9 26877.33 28506.21 242.29 o
0 3 9 17552.52 18020.34 224.03 o
2 3 9 15119.86 15672.53 149.09 o
1 4 9 14957.78 15225.62 152.11 o
0 0 10 6446.90 6329.48 180.16 o
1 1 10 370.14 356.09 12.99 o
0 2 10 3910.03 3762.61 56.80 o
2 2 10 2452.72 2547.13 38.22 o
1 3 10 477.35 512.85 12.96 o
3 3 10 518.73 567.29 16.50 o
0 4 10 1329.37 1361.69 24.80 o
2 4 10 854.76 872.87 23.33 o
0 1 11 45664.59 44784.70 1048.23 o
1 2 11 32957.15 35677.42 396.44 o
0 3 11 29812.43 30526.08 412.03 o
2 3 11 22813.31 24066.50 239.37 o
1 4 11 15939.09 16410.02 218.87 o
0 0 12 23960.52 24690.96 660.35 o
1 1 12 37488.54 36955.09 577.87 o
0 2 12 20080.12 20328.33 342.73 o
2 2 12 17354.37 18062.12 252.95 o
1 3 12 21765.77 23520.38 322.15 o
3 3 12 13683.87 14231.77 210.83 o
0 4 12 12365.03 12512.53 200.07 o
0 1 13 3616.42 3322.53 64.07 o
1 2 13 2489.54 2568.11 35.05 o
0 3 13 3128.15 3100.15 78.91 o
2 3 13 2300.19 2428.48 39.45 o
1 4 13 1250.40 1314.99 25.92 o
0 0 14 299.06 252.56 18.65 o
1 1 14 3630.41 3242.41 103.94 o
0 2 14 392.13 435.72 20.64 o
2 2 14 466.30 483.48 30.40 o
1 3 14 1659.51 1698.43 25.55 o
0 4 14 364.71 360.43 27.69 o
0 1 15 8765.11 8214.86 116.32 o
1 2 15 7849.45 7823.94 108.60 o
0 3 15 5114.51 5085.87 140.10 o
2 3 15 4742.52 5115.23 68.33 o
0 0 16 49012.53 47678.30 1444.18 o
1 1 16 29043.22 27828.82 492.92 o
0 2 16 37630.48 36727.44 815.84 o
2 2 16 29385.16 30125.56 643.48 o
1 3 16 21114.88 22071.71 397.45 o
0 1 17 4077.13 3927.15 67.88 o
1 2 17 3837.04 3564.35 60.72 o
0 3 17 2389.09 2520.62 69.99 o
0 0 18 257.06 259.41 19.07 o
1 1 18 2431.60 2427.59 47.67 o
0 2 18 330.13 376.63 23.37 o
2 2 18 387.96 318.65 28.14 o
0 1 19 2153.58 2095.91 39.35 o
1 2 19 1600.93 1621.84 31.14 o
0 0 20 9533.29 8773.36 274.66 o
1 1 20 15054.28 14739.20 233.12 o
0 2 20 8621.97 8536.17 194.47 o
0 1 21 9307.32 9037.85 166.05 o