#------------------------------------------------------------------------------
#$Date: 2016-12-16 14:04:31 +0200 (Fri, 16 Dec 2016) $
#$Revision: 189154 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/3/50/00/3500059.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_3500059
_cell_angle_alpha                90.000
_cell_angle_beta                 92.810
_cell_angle_gamma                90.000
_cell_length_a                   4.9466
_cell_length_b                   4.9481
_cell_length_c                   6.1943
_exptl_crystal_F_000             142.00
_reflns_d_resolution_high        0.7125
_cod_data_source_file            PdSO4.fcf
_cod_data_source_block           PdSO4
_shelx_title                     '  PdSO4 monocristal   I 2/m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            241.06
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, -y+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
2 0 0 27102.23 24618.02 266.53 o
4 0 0 5515.75 5026.30 228.10 o
6 0 0 3603.98 3505.97 196.60 o
1 1 0 34401.82 37862.28 285.47 o
3 1 0 11602.73 11447.83 250.60 o
5 1 0 4188.20 3811.03 187.49 o
0 2 0 58110.56 32090.88 447.24 o
2 2 0 12726.76 15304.57 267.47 o
4 2 0 3535.11 3531.92 120.84 o
6 2 0 2237.44 2039.25 212.70 o
1 3 0 11084.21 8796.70 284.85 o
3 3 0 2388.73 2889.56 103.77 o
5 3 0 1456.76 1544.69 188.15 o
0 4 0 11836.76 6343.72 225.50 o
2 4 0 3149.08 2353.89 129.87 o
4 4 0 1118.98 1347.11 129.42 o
1 5 0 3656.73 2739.38 132.02 o
3 5 0 1292.37 1160.41 171.85 o
0 6 0 5734.03 4825.80 166.28 o
2 6 0 1819.10 1312.38 150.12 o
-5 0 1 3985.05 4145.38 150.80 o
-3 0 1 8260.29 8126.80 227.39 o
-1 0 1 4040.24 6274.21 159.02 o
1 0 1 5773.70 7421.21 164.08 o
3 0 1 8881.81 8322.87 223.07 o
5 0 1 4215.24 4247.08 218.06 o
-6 1 1 2057.81 1763.35 141.59 o
-4 1 1 6323.21 6007.99 169.58 o
-2 1 1 9710.30 8722.03 204.32 o
0 1 1 25924.03 15244.13 190.67 o
2 1 1 10384.22 9189.65 207.26 o
4 1 1 6710.09 6069.99 182.48 o
6 1 1 2264.81 2049.72 205.09 o
-5 2 1 4205.49 3942.44 153.53 o
-3 2 1 8432.31 7791.57 245.37 o
-1 2 1 8182.87 8311.13 208.83 o
1 2 1 8687.52 8497.54 199.30 o
3 2 1 8561.16 8034.25 244.55 o
5 2 1 4401.41 4036.73 173.34 o
-6 3 1 2305.30 2539.74 163.44 o
-4 3 1 6994.73 6870.84 215.48 o
-2 3 1 8414.90 7454.50 215.56 o
0 3 1 19243.09 16528.53 284.58 o
2 3 1 8785.45 8066.58 256.60 o
4 3 1 6792.36 6705.44 200.23 o
6 3 1 2363.82 2358.89 188.76 o
-5 4 1 3290.63 3611.91 153.14 o
-3 4 1 7074.22 6834.62 217.04 o
-1 4 1 5000.54 5300.00 178.01 o
1 4 1 5132.58 4678.53 169.01 o
3 4 1 6912.89 7229.56 199.15 o
5 4 1 3164.02 3256.08 220.30 o
-4 5 1 3255.63 3579.50 153.99 o
-2 5 1 3638.73 4064.58 144.40 o
0 5 1 7902.85 7721.30 239.74 o
2 5 1 3537.36 3097.96 144.69 o
4 5 1 3054.19 3466.45 156.09 o
-3 6 1 2201.92 2166.71 164.14 o
-1 6 1 1547.56 1681.10 181.51 o
1 6 1 1579.48 1970.11 145.09 o
3 6 1 2071.63 1906.65 147.23 o
-6 0 2 3127.39 3545.70 142.53 o
-4 0 2 5162.31 4617.12 173.14 o
-2 0 2 12592.70 12596.09 233.98 o
2 0 2 11112.99 11583.17 227.15 o
4 0 2 4423.70 3747.74 204.84 o
6 0 2 3208.55 2946.57 210.97 o
-5 1 2 4161.13 4341.53 156.02 o
-3 1 2 8644.02 8669.22 244.44 o
-1 1 2 10234.67 15199.67 231.64 o
1 1 2 10686.20 13838.55 227.08 o
3 1 2 7859.27 8344.02 242.16 o
5 1 2 3829.18 3361.19 204.43 o
-6 2 2 2232.88 2328.98 154.02 o
-4 2 2 4050.70 3628.95 125.59 o
-2 2 2 7864.16 10309.97 245.66 o
0 2 2 27937.37 28230.82 307.04 o
2 2 2 7975.71 7651.34 240.90 o
4 2 2 3542.73 3489.22 123.15 o
6 2 2 2227.11 1717.18 181.32 o
-5 3 2 1881.91 1828.79 137.59 o
-3 3 2 3011.27 3180.15 111.76 o
-1 3 2 6953.53 8395.82 240.55 o
1 3 2 7242.64 8438.32 243.53 o
3 3 2 2672.70 2649.86 115.27 o
5 3 2 1914.96 2016.07 201.09 o
-4 4 2 1755.23 2025.32 132.05 o
-2 4 2 3310.15 3499.87 118.77 o
0 4 2 9297.44 9860.25 281.14 o
2 4 2 3223.70 3132.43 121.00 o
4 4 2 1759.19 2095.42 136.67 o
-3 5 2 1793.34 1555.84 139.09 o
-1 5 2 3134.75 3477.07 141.15 o
1 5 2 3504.14 3601.09 142.10 o
3 5 2 1739.78 966.71 284.89 o
-2 6 2 1860.04 1650.64 138.03 o
0 6 2 5029.76 6331.43 217.09 o
2 6 2 1903.15 1570.08 203.97 o
-5 0 3 3389.55 3025.33 120.33 o
-3 0 3 7628.38 8245.56 252.42 o
-1 0 3 8054.35 8635.71 260.71 o
1 0 3 10498.54 14336.48 243.46 o
3 0 3 6525.02 6537.89 174.82 o
5 0 3 2917.95 2845.46 179.86 o
-6 1 3 1809.40 1861.96 135.50 o
-4 1 3 5133.01 4590.92 156.95 o
-2 1 3 9963.69 9978.16 251.96 o
0 1 3 24925.97 25207.07 331.00 o
2 1 3 8985.19 9740.49 246.40 o
4 1 3 4544.64 4365.31 141.15 o
6 1 3 1822.14 1142.94 411.58 o
-5 2 3 3127.12 3089.37 131.61 o
-3 2 3 6716.89 5780.75 189.82 o
-1 2 3 8357.27 10244.73 255.30 o
1 2 3 8592.08 9052.00 357.53 o
3 2 3 5847.24 6436.31 183.78 o
5 2 3 3024.44 2980.19 195.31 o
-4 3 3 4897.16 4706.74 155.39 o
-2 3 3 6249.07 5831.74 192.62 o
0 3 3 15059.66 14805.61 297.52 o
2 3 3 6616.24 5517.67 189.28 o
4 3 3 4258.93 4939.10 164.61 o
-5 4 3 2206.72 2692.43 165.61 o
-3 4 3 4720.79 4495.51 157.04 o
-1 4 3 3802.27 4282.38 148.22 o
1 4 3 4150.50 3898.92 122.14 o
3 4 3 4558.90 4294.18 151.80 o
5 4 3 2088.05 2376.42 194.48 o
-4 5 3 2138.91 2669.77 164.91 o
-2 5 3 2586.41 2838.60 133.02 o
0 5 3 6262.35 5924.49 198.11 o
2 5 3 2595.30 2863.34 136.35 o
4 5 3 2001.15 2383.95 136.98 o
-1 6 3 1179.73 868.51 194.18 o
1 6 3 1351.29 1215.41 162.41 o
-6 0 4 2114.89 2580.11 160.81 o
-4 0 4 3401.35 3464.94 128.78 o
-2 0 4 9504.45 9350.73 261.33 o
2 0 4 8742.71 9315.92 260.85 o
4 0 4 3199.07 3206.33 161.77 o
6 0 4 2685.46 2387.73 194.94 o
-5 1 4 2654.41 2988.63 135.08 o
-3 1 4 5516.15 5700.79 180.73 o
-1 1 4 9035.66 11912.35 269.68 o
1 1 4 9889.61 20105.21 354.00 o
3 1 4 5351.65 5958.21 182.78 o
5 1 4 2770.42 2605.01 203.62 o
-4 2 4 2488.34 2615.53 118.47 o
-2 2 4 5407.48 6732.86 187.96 o
0 2 4 18407.77 20760.08 344.89 o
2 2 4 5756.13 6339.62 211.08 o
4 2 4 2245.58 2321.53 126.49 o
-5 3 4 1124.27 905.30 162.63 o
-3 3 4 1961.26 2521.61 113.74 o
-1 3 4 4811.41 5621.40 185.26 o
1 3 4 5157.12 4363.61 161.52 o
3 3 4 1624.82 1346.16 154.87 o
5 3 4 1273.13 1407.28 187.32 o
-4 4 4 1064.22 1181.55 158.37 o
-2 4 4 2256.03 2148.77 120.50 o
0 4 4 6651.83 6494.25 199.12 o
2 4 4 2050.86 2199.18 124.32 o
4 4 4 1026.04 841.42 271.02 o
-3 5 4 1210.23 1223.49 166.55 o
-1 5 4 2128.16 2424.34 138.14 o
1 5 4 2513.93 2796.25 140.19 o
3 5 4 1007.71 1240.66 169.53 o
0 6 4 3889.18 4483.43 167.17 o
-5 0 5 2255.20 2325.26 146.45 o
-3 0 5 3417.49 3752.47 124.56 o
-1 0 5 867.56 437.33 345.02 o
1 0 5 2054.53 3011.19 108.75 o
3 0 5 3176.24 3142.53 111.10 o
5 0 5 1938.34 1742.87 178.37 o
-4 1 5 3291.58 2874.36 125.57 o
-2 1 5 3130.48 2748.81 120.10 o
0 1 5 5470.83 4530.09 157.64 o
2 1 5 3262.55 3329.92 117.33 o
4 1 5 2980.66 2882.65 135.43 o
-5 2 5 2388.56 2624.75 158.24 o
-3 2 5 4127.86 3804.68 149.23 o
-1 2 5 2348.79 2866.09 132.28 o
1 2 5 2875.42 730.37 432.66 o
3 2 5 3707.95 4109.00 146.84 o
5 2 5 2305.18 2388.98 191.22 o
-4 3 5 3987.53 3947.29 161.71 o
-2 3 5 3571.04 3817.39 139.94 o
0 3 5 6781.52 7421.21 215.08 o
2 3 5 4154.42 4353.41 156.24 o
4 3 5 3317.83 3973.20 157.37 o
-3 4 5 3736.63 3887.68 149.25 o
-1 4 5 2169.33 3026.74 128.86 o
1 4 5 2624.66 2033.44 142.76 o
3 4 5 3587.14 3582.58 157.14 o
-2 5 5 2003.39 2482.98 161.60 o
0 5 5 4056.80 5136.39 177.08 o
2 5 5 2070.29 2431.95 147.24 o
-4 0 6 2292.47 2424.34 141.94 o
-2 0 6 5479.37 5879.01 209.19 o
2 0 6 4542.53 5433.87 185.94 o
4 0 6 1751.54 1766.59 172.01 o
-5 1 6 1709.01 2062.56 134.43 o
-3 1 6 3277.26 3598.00 126.60 o
-1 1 6 5019.00 830.25 563.64 o
1 1 6 5352.43 7116.21 267.06 o
3 1 6 2738.41 3093.66 134.57 o
-4 2 6 1577.23 1633.95 159.18 o
-2 2 6 3087.52 4044.91 145.69 o
0 2 6 9351.19 10663.14 305.65 o
2 2 6 3084.52 3876.46 139.42 o
4 2 6 1218.49 1460.89 175.11 o
-3 3 6 1254.18 1651.69 131.80 o
-1 3 6 2521.00 1438.35 201.09 o
1 3 6 2795.18 773.42 478.87 o
3 3 6 933.27 1219.00 161.75 o
-2 4 6 1333.22 1088.78 165.61 o
0 4 6 3998.83 3902.14 147.92 o
2 4 6 1218.41 1388.03 128.50 o
-3 0 7 2063.76 1777.42 146.49 o
1 0 7 2099.39 2807.15 140.46 o
3 0 7 1866.75 1550.77 137.85 o
-4 1 7 1742.41 953.16 305.14 o
-2 1 7 2180.37 1959.84 136.73 o
0 1 7 4249.25 4107.35 138.56 o
2 1 7 2227.87 2048.56 143.29 o
-3 2 7 2228.49 2018.38 157.26 o
-1 2 7 1670.97 387.69 465.23 o
3 2 7 1917.73 2154.74 133.81 o
-2 3 7 1942.88 2310.39 158.36 o
0 3 7 4190.85 4694.39 181.64 o
2 3 7 2233.28 2284.48 146.39 o
-1 4 7 1161.02 863.96 392.64 o
-2 0 8 1956.95 1739.65 159.96 o
2 0 8 1815.79 1937.12 147.27 o
-1 1 8 1502.83 1156.90 489.38 o
1 1 8 1880.50 828.03 240.71 o
-2 2 8 1288.55 1167.43 178.52 o
0 2 8 3799.32 3464.94 163.63 o