#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/51/2205175.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_2205175_Fobs
loop_
_publ_author_name
'Deng, Bin'
'Ibers, James A.'
_publ_section_title
;
 CsYbSe~2~
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i15
_journal_page_last               i17
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   4.1539
_cell_length_b                   4.1539
_cell_length_c                   16.5078
_exptl_crystal_F_000             386.00
_reflns_d_resolution_high        0.7339
_[local]_cod_data_source_file    wm6047Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' CsYbSe2 in P6(3)/mmc'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            287.43
_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'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, 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
0 1 0 396.43 389.89 16.33 o
-1 2 0 82614.19 72957.73 1309.67 o
0 2 0 469.00 420.59 11.42 o
-1 3 0 397.61 375.13 8.31 o
0 3 0 45740.77 43313.32 515.18 o
-2 4 0 36457.14 35950.20 563.39 o
-1 4 0 312.99 306.49 10.01 o
0 4 0 292.98 323.20 22.57 o
-2 5 0 277.76 316.04 16.74 o
-1 5 0 20533.03 20887.65 239.31 o
0 1 1 646.59 662.99 8.21 o
0 2 1 365.64 370.83 6.47 o
-1 3 1 241.62 232.81 4.35 o
0 3 1 0.00 9.10 4.00 o
-1 4 1 131.59 144.01 6.07 o
0 4 1 101.70 112.68 10.56 o
-2 5 1 80.44 103.01 7.92 o
-1 5 1 0.00 5.58 6.64 o
0 0 2 6936.63 7454.76 591.53 o
0 1 2 21579.88 20893.78 160.54 o
-1 2 2 5007.19 4778.09 38.53 o
0 2 2 14713.70 14132.57 112.62 o
-1 3 2 11008.58 11041.68 65.65 o
0 3 2 3189.42 3116.43 35.40 o
-2 4 2 2671.71 2642.27 33.41 o
-1 4 2 7053.48 7068.22 55.91 o
0 4 2 5861.70 5905.14 79.13 o
-2 5 2 4946.68 5033.26 54.19 o
-1 5 2 1748.57 1679.36 25.04 o
0 1 3 30244.22 29632.41 220.27 o
0 2 3 19375.13 19179.49 142.96 o
-1 3 3 14341.03 14267.53 84.52 o
0 3 3 0.00 15.12 3.84 o
-1 4 3 8862.96 8898.35 66.87 o
0 4 3 7164.49 7272.19 89.82 o
-2 5 3 5865.08 5906.86 61.37 o
-1 5 3 0.00 25.21 7.46 o
0 0 4 20156.93 20136.35 457.24 o
0 1 4 12701.69 12849.58 105.35 o
-1 2 4 13381.80 13294.30 100.64 o
0 2 4 9260.04 9350.24 72.86 o
-1 3 4 7179.82 7117.98 45.12 o
0 3 4 7613.43 7812.16 69.26 o
-2 4 4 6139.91 6097.47 64.99 o
-1 4 4 4812.40 4854.28 40.37 o
0 4 4 4070.65 4040.15 58.23 o
-2 5 4 3487.33 3522.95 38.19 o
-1 5 4 3635.54 3734.11 56.60 o
0 1 5 2671.51 2708.95 22.97 o
0 2 5 1732.32 1767.14 17.83 o
-1 3 5 1265.79 1230.58 11.92 o
0 3 5 0.00 13.37 4.37 o
-1 4 5 762.32 732.53 11.40 o
0 4 5 609.78 575.23 17.16 o
-2 5 5 495.21 475.49 12.12 o
-1 5 5 0.00 9.53 10.79 o
0 0 6 5206.80 5801.59 140.16 o
0 1 6 40134.00 39737.40 295.63 o
-1 2 6 2940.40 2963.83 29.02 o
0 2 6 28788.95 29039.36 219.96 o
-1 3 6 22165.73 22623.91 135.58 o
0 3 6 1540.81 1533.34 22.12 o
-2 4 6 1146.94 1098.86 19.37 o
-1 4 6 14482.89 14906.96 102.75 o
0 4 6 12039.03 12546.54 151.51 o
-2 5 6 10132.50 10463.90 88.71 o
-1 5 6 482.48 455.37 28.79 o
0 1 7 6.29 33.07 3.59 o
0 2 7 7.96 18.12 3.42 o
-1 3 7 9.26 16.80 3.08 o
0 3 7 0.00 17.51 5.42 o
-1 4 7 10.25 28.24 4.86 o
0 4 7 10.20 26.06 8.17 o
-2 5 7 9.91 16.97 6.58 o
-1 5 7 0.00 47.29 53.66 o
0 0 8 33651.46 34696.08 615.29 o
0 1 8 4956.48 4949.25 41.34 o
-1 2 8 24189.18 25026.52 186.50 o
0 2 8 3843.87 3846.78 36.96 o
-1 3 8 3107.56 3018.30 24.67 o
0 3 8 14865.95 15374.03 146.61 o
-2 4 8 12153.06 12196.87 129.01 o
-1 4 8 2220.09 2201.40 24.25 o
0 4 8 1924.96 1876.99 32.12 o
-2 5 8 1685.03 1652.80 30.79 o
0 1 9 16568.10 17146.48 129.74 o
0 2 9 12369.09 12648.27 102.98 o
-1 3 9 9641.55 9701.97 64.89 o
0 3 9 0.00 13.40 5.66 o
-1 4 9 6221.68 6267.25 52.73 o
0 4 9 5099.47 5111.94 70.76 o
-2 5 9 4225.26 4218.99 74.14 o
0 0 10 12104.11 12582.50 234.78 o
0 1 10 8401.87 8471.49 71.56 o
-1 2 10 9457.05 9405.51 85.77 o
0 2 10 6479.33 6565.26 65.72 o
-1 3 10 5211.01 5167.43 41.95 o
0 3 10 6372.93 6436.58 69.80 o
-2 4 10 5390.01 5389.61 63.65 o
-1 4 10 3630.01 3721.73 35.22 o
0 4 10 3100.87 3147.62 50.41 o
-2 5 10 2676.28 2599.50 107.15 o
0 1 11 4072.75 4279.94 43.94 o
0 2 11 3106.30 3155.54 37.07 o
-1 3 11 2440.22 2375.68 22.26 o
0 3 11 0.00 18.61 7.36 o
-1 4 11 1585.53 1529.14 20.26 o
0 4 11 1303.53 1211.13 39.49 o
0 0 12 48278.10 51492.64 908.41 o
0 1 12 732.29 701.80 12.09 o
-1 2 12 37609.95 38769.98 322.77 o
0 2 12 625.11 594.24 13.65 o
-1 3 12 554.90 536.11 10.02 o
0 3 12 24703.33 25283.51 252.44 o
-2 4 12 20509.30 21043.46 275.25 o
-1 4 12 463.43 461.99 12.26 o
0 1 13 136.09 137.93 7.34 o
0 2 13 118.65 142.85 9.44 o
-1 3 13 103.48 99.29 6.27 o
0 3 13 0.00 16.26 7.45 o
-1 4 13 78.48 83.22 7.72 o
0 4 13 68.39 13.19 37.13 o
0 0 14 29.87 31.71 11.99 o
0 1 14 14036.56 14582.94 130.70 o
-1 2 14 36.71 47.34 6.83 o
0 2 14 11388.22 11523.89 117.63 o
-1 3 14 9425.04 9571.67 72.02 o
0 3 14 53.28 64.17 9.36 o
-2 4 14 60.69 68.43 11.00 o
-1 4 14 6720.01 6982.71 92.99 o
0 1 15 7163.93 7117.68 76.51 o
0 2 15 5730.42 5628.39 70.58 o
-1 3 15 4650.98 4586.85 41.07 o
0 3 15 0.00 33.76 9.10 o
-1 4 15 3172.80 3037.15 94.96 o
0 0 16 3778.68 3953.44 102.49 o
0 1 16 6454.23 6547.94 71.83 o
-1 2 16 3123.44 3145.58 43.99 o
0 2 16 5420.91 5340.73 71.34 o
-1 3 16 4614.71 4630.24 43.58 o
0 3 16 2257.61 2216.47 38.39 o
0 1 17 4283.38 4189.04 52.31 o
0 2 17 3472.62 3421.83 51.82 o
-1 3 17 2850.40 2787.11 32.42 o
0 3 17 0.00 38.31 35.57 o
0 0 18 103.44 74.43 28.48 o
0 1 18 10955.62 11237.59 127.91 o
-1 2 18 64.39 56.72 10.06 o
0 2 18 9188.07 9450.28 114.69 o
-1 3 18 7791.58 7845.61 156.75 o
0 1 19 118.03 93.21 11.73 o
0 2 19 102.25 96.30 12.38 o
0 0 20 18830.48 18872.41 709.32 o
0 1 20 612.66 575.62 21.88 o
-1 2 20 15829.17 16142.80 356.25 o
0 2 20 558.96 521.66 38.94 o
0 1 21 2417.19 2208.12 59.18 o
0 0 22 4361.70 3952.54 198.77 o