#------------------------------------------------------------------------------
#$Date: 2010-02-13 12:42:52 +0200 (Sat, 13 Feb 2010) $
#$Revision: 986 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/2224800.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_2224800_Fobs
loop_
_publ_author_name
'Zhao, Dan'
'Li, Feifei'
'Cheng, Wendan'
'Zhang, Hao'
_publ_section_title
;
 Scheelite-type NaDy(WO~4~)~2~
;
_journal_coeditor_code           WM2287
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i2
_journal_volume                  66
_journal_year                    2010
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.2545
_cell_length_b                   5.2545
_cell_length_c                   11.4029
_exptl_crystal_F_000             578.00
_reflns_d_resolution_high        0.7699
_[local]_cod_data_source_file    wm2287Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' a in I4(1)/a'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            387.01
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y+3/4, x+1/4, z+1/4'
'-x, -y+1/2, z'
'y+1/4, -x+1/4, z+1/4'
'x+1/2, y+1/2, z+1/2'
'-y+5/4, x+3/4, z+3/4'
'-x+1/2, -y+1, z+1/2'
'y+3/4, -x+3/4, z+3/4'
'-x, -y, -z'
'y-3/4, -x-1/4, -z-1/4'
'x, y-1/2, -z'
'-y-1/4, x-1/4, -z-1/4'
'-x+1/2, -y+1/2, -z+1/2'
'y-1/4, -x+1/4, -z+1/4'
'x+1/2, y, -z+1/2'
'-y+1/4, x+1/4, -z+1/4'
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
0 2 0 96902.94 86652.23 10431.64 o
2 2 0 120694.31 122635.24 4099.20 o
-2 4 0 63372.43 67300.89 3584.98 o
0 4 0 72830.89 67767.23 3234.91 o
2 4 0 65108.09 63781.04 3730.75 o
4 4 0 32569.78 32078.17 2346.85 o
-2 6 0 28931.29 29879.94 2822.03 o
0 6 0 34266.09 35602.42 2758.95 o
2 6 0 27249.35 28308.60 2091.94 o
0 1 1 10988.41 11273.86 484.46 o
-1 2 1 1601.92 1596.74 102.34 o
1 2 1 12108.20 11448.30 1045.65 o
-2 3 1 2931.35 773.39 774.89 o
0 3 1 3861.71 3463.65 299.95 o
2 3 1 9093.13 8918.81 712.49 o
-3 4 1 1953.39 1891.53 279.24 o
-1 4 1 5756.45 5718.20 439.22 o
1 4 1 2833.14 2767.17 225.21 o
3 4 1 3706.58 3782.97 434.48 o
-4 5 1 1288.11 1315.05 367.69 o
-2 5 1 3542.78 3885.20 594.13 o
0 5 1 3309.34 3216.89 432.02 o
2 5 1 1566.74 1657.73 318.23 o
4 5 1 2120.42 2388.74 480.36 o
-3 6 1 1326.60 1316.87 604.60 o
-1 6 1 2456.50 2349.01 459.70 o
1 6 1 1494.95 1634.72 325.01 o
3 6 1 1954.73 2321.77 398.94 o
1 1 2 149780.36 139460.92 4222.19 o
0 2 2 526.10 605.83 124.91 o
2 2 2 26.91 59.97 58.62 o
-1 3 2 82526.28 84707.96 2391.44 o
1 3 2 99337.13 88672.98 2307.03 o
3 3 2 64594.85 64555.68 2255.93 o
-2 4 2 383.23 393.89 211.75 o
0 4 2 876.04 868.76 225.02 o
2 4 2 143.51 124.92 98.75 o
4 4 2 8.25 6.85 69.32 o
-3 5 2 33606.46 34291.21 2029.41 o
-1 5 2 51923.28 54278.15 3068.97 o
1 5 2 42150.47 41928.07 1743.63 o
3 5 2 36398.01 38641.29 1752.48 o
-2 6 2 116.58 50.61 190.20 o
0 6 2 226.02 208.95 206.35 o
2 6 2 55.55 61.10 130.76 o
0 1 3 10887.90 11704.95 395.39 o
-1 2 3 8067.13 7440.47 420.96 o
1 2 3 1547.47 1568.38 144.95 o
-2 3 3 8529.81 8205.28 448.44 o
0 3 3 3130.22 3360.00 265.01 o
2 3 3 4181.29 3938.76 269.86 o
-3 4 3 2400.58 2242.96 333.96 o
-1 4 3 3300.10 3250.99 273.13 o
1 4 3 6050.67 6321.41 397.93 o
3 4 3 1433.44 1560.32 362.82 o
-4 5 3 2014.82 2234.00 411.49 o
-2 5 3 1891.17 1845.24 385.53 o
0 5 3 2577.10 2644.51 271.70 o
2 5 3 3111.73 3230.82 404.22 o
4 5 3 1602.91 1777.96 440.90 o
-1 6 3 1431.70 1432.60 404.67 o
1 6 3 1795.47 1862.22 390.62 o
0 0 4 109920.02 125864.77 5876.07 o
1 1 4 3003.12 2925.32 154.07 o
0 2 4 128384.12 124852.28 3023.67 o
2 2 4 84749.26 85973.59 2118.82 o
-1 3 4 115.68 94.35 58.39 o
1 3 4 93.37 100.69 68.73 o
3 3 4 55.11 58.67 70.68 o
-2 4 4 52464.39 51550.22 2280.26 o
0 4 4 62240.75 64378.79 2011.58 o
2 4 4 51562.25 51688.28 1935.28 o
4 4 4 38221.93 38735.32 1765.48 o
-3 5 4 79.50 51.06 156.06 o
-1 5 4 4.72 16.28 59.62 o
1 5 4 18.78 40.00 79.68 o
3 5 4 140.59 114.66 133.07 o
-2 6 4 27899.41 27978.03 1618.71 o
0 6 4 30872.81 29748.11 1571.66 o
2 6 4 28924.29 29435.92 1468.42 o
0 1 5 3257.54 3443.02 137.31 o
-1 2 5 8534.10 8177.69 291.49 o
1 2 5 6577.07 6769.19 332.51 o
-2 3 5 2369.69 2325.22 242.07 o
0 3 5 7767.61 7678.49 380.50 o
2 3 5 1493.45 1705.06 181.98 o
-3 4 5 3808.45 3870.15 450.43 o
-1 4 5 2305.04 1875.53 203.95 o
1 4 5 2485.07 2532.32 279.99 o
3 4 5 3186.58 3352.80 383.61 o
-4 5 5 1746.14 1574.83 365.83 o
-2 5 5 1948.88 2101.18 470.37 o
0 5 5 2251.39 2351.28 294.19 o
2 5 5 2602.83 2851.92 404.98 o
4 5 5 1326.23 1525.02 496.49 o
-1 6 5 1772.85 1845.59 441.32 o
1 6 5 2291.48 2182.84 414.54 o
1 1 6 100064.59 108443.39 2689.61 o
0 2 6 0.24 31.75 57.34 o
2 2 6 1.11 16.29 51.67 o
-1 3 6 81671.16 81100.04 2233.11 o
1 3 6 60164.97 61440.80 1683.21 o
3 3 6 48593.79 49064.81 2030.50 o
-2 4 6 2.00 27.45 92.03 o
0 4 6 0.79 3.99 62.90 o
2 4 6 0.10 23.91 58.87 o
4 4 6 0.45 26.21 127.31 o
-3 5 6 32772.22 31566.71 1730.51 o
-1 5 6 30590.43 28864.64 1488.88 o
1 5 6 45338.05 46069.82 1589.66 o
3 5 6 28181.36 28053.95 1656.64 o
0 6 6 0.45 21.82 85.09 o
0 1 7 2937.15 2894.10 152.28 o
-1 2 7 6076.38 5795.36 349.80 o
1 2 7 5347.26 5518.17 297.40 o
-2 3 7 1955.51 2001.99 295.73 o
0 3 7 5784.76 5755.90 409.78 o
2 3 7 1434.07 1423.14 249.66 o
-3 4 7 3139.01 3248.55 591.58 o
-1 4 7 2050.31 2091.79 284.15 o
1 4 7 1939.86 2003.56 288.31 o
3 4 7 2799.46 3162.02 483.60 o
-2 5 7 1653.52 1552.22 370.39 o
0 5 7 1989.60 1983.39 308.02 o
2 5 7 2126.74 2063.32 447.67 o
0 0 8 73640.75 87111.14 6651.09 o
1 1 8 1005.48 979.69 128.46 o
0 2 8 77727.84 83555.35 2320.97 o
2 2 8 58453.43 58413.89 2271.01 o
-1 3 8 58.80 41.40 71.98 o
1 3 8 44.99 29.13 54.36 o
3 3 8 28.32 20.39 113.10 o
-2 4 8 38515.77 37305.45 1845.20 o
0 4 8 44881.37 44929.97 1760.85 o
2 4 8 38359.84 39333.34 1780.56 o
4 4 8 29053.01 29519.35 1753.47 o
-1 5 8 2.46 15.19 76.05 o
1 5 8 14.49 24.13 67.26 o
0 1 9 4559.66 4763.73 360.41 o
-1 2 9 3628.49 3391.20 311.15 o
1 2 9 1427.89 1391.82 242.17 o
-2 3 9 4136.65 4032.95 525.11 o
0 3 9 1806.23 1914.59 328.00 o
2 3 9 2500.54 2699.13 405.40 o
-3 4 9 1398.60 1451.68 513.18 o
-1 4 9 1937.38 1979.33 305.26 o
1 4 9 3156.36 3123.72 399.33 o
3 4 9 971.87 885.95 381.49 o
-2 5 9 1172.45 1019.37 398.72 o
0 5 9 1633.33 1790.58 381.53 o
2 5 9 1737.21 1863.45 368.81 o
1 1 10 59622.57 64709.25 2626.38 o
0 2 10 63.72 60.03 83.44 o
2 2 10 2.20 24.40 90.78 o
-1 3 10 41002.73 37770.43 1677.68 o
1 3 10 46786.64 46249.19 1883.92 o
3 3 10 35173.44 36676.21 1961.96 o
-2 4 10 98.00 69.42 131.51 o
0 4 10 218.43 149.30 145.31 o
2 4 10 48.79 50.45 132.14 o
0 1 11 2899.60 3091.75 510.97 o
-1 2 11 1227.70 1124.76 338.99 o
1 2 11 3045.57 3040.33 419.74 o
-2 3 11 1383.60 1401.31 404.09 o
0 3 11 1573.80 1391.42 396.02 o
2 3 11 2942.80 2998.11 543.65 o
-1 4 11 2039.06 2008.58 449.68 o
1 4 11 1337.01 1273.34 365.74 o
0 0 12 59296.85 70517.41 6586.91 o
1 1 12 3.67 28.67 82.72 o
0 2 12 35974.70 32786.40 1603.34 o
2 2 12 39312.42 38308.87 1794.10 o
-1 3 12 0.75 20.26 117.02 o
1 3 12 0.30 3.34 117.83 o
0 4 12 29196.14 28174.85 1911.78 o
0 1 13 1926.94 1734.37 1048.64 o
-1 2 13 887.34 711.32 422.17 o
1 2 13 2279.76 2227.35 527.22 o
0 3 13 1226.09 1052.69 493.56 o
1 1 14 33361.37 32764.11 2207.25 o
0 2 14 25.91 47.06 134.59 o