#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/10/2211031.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_2211031_Fobs
loop_
_publ_author_name
'Becker, Richard'
'Berger, Helmuth'
_publ_section_title
;
 Reinvestigation of Ni~3~TeO~6~
;
_journal_coeditor_code           HB2175
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i222
_journal_page_last               i223
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   5.1087
_cell_length_b                   5.1087
_cell_length_c                   13.7671
_exptl_crystal_F_000             552.00
_reflns_d_resolution_high        0.6534
_[local]_cod_data_source_file    hb2175Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '  Ni3TeO6 in R3H'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            305.14
_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+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
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 -20 10196.14 10892.54 315.79 o
0 1 -19 3321.00 3691.04 235.58 o
-2 2 -19 3566.17 3829.21 222.02 o
-1 3 -19 2477.91 2842.15 396.28 o
0 0 -18 3808.16 4205.66 334.56 o
1 1 -18 1916.86 1875.26 204.59 o
-1 2 -18 1590.38 1645.03 214.78 o
-3 3 -18 2690.19 2845.97 342.73 o
0 3 -18 2738.74 2781.20 216.21 o
-1 1 -17 755.67 836.13 129.43 o
-3 2 -17 823.03 1027.53 225.56 o
0 2 -17 761.87 793.49 142.49 o
-2 3 -17 845.32 848.45 234.33 o
1 3 -17 683.94 817.01 266.81 o
-1 4 -17 579.69 629.30 212.03 o
0 1 -16 11053.60 11562.52 230.07 o
-2 2 -16 11610.66 11630.34 432.71 o
1 2 -16 8809.12 9198.16 275.12 o
-4 3 -16 7594.46 7414.91 261.16 o
-1 3 -16 10751.04 10678.64 198.19 o
-3 4 -16 6320.98 6267.47 215.91 o
0 4 -16 5859.29 6093.38 301.10 o
1 1 -15 1282.60 1129.63 139.33 o
-1 2 -15 6217.09 6171.03 141.59 o
2 2 -15 4202.00 4230.30 216.82 o
-3 3 -15 3593.61 3516.85 189.55 o
0 3 -15 3567.16 3548.58 157.61 o
-2 4 -15 1202.88 1105.92 171.52 o
1 4 -15 1081.98 862.57 369.93 o
-4 5 -15 3049.07 2936.46 409.78 o
-1 5 -15 3079.87 2718.08 406.64 o
-1 1 -14 17208.51 16893.32 247.52 o
-3 2 -14 14043.42 12933.99 236.83 o
0 2 -14 16337.16 15956.50 308.31 o
-5 3 -14 10343.90 10081.24 549.44 o
-2 3 -14 14379.64 14042.10 310.44 o
1 3 -14 10158.03 10119.77 269.98 o
-4 4 -14 8830.31 8990.37 234.83 o
-1 4 -14 10724.54 10973.26 196.64 o
-3 5 -14 9544.94 8889.46 325.87 o
0 5 -14 8376.76 8214.74 395.25 o
0 1 -13 3190.52 3039.09 95.57 o
-2 2 -13 2225.11 2121.24 104.92 o
1 2 -13 1544.60 1556.78 113.62 o
-4 3 -13 2996.69 2930.69 187.14 o
-1 3 -13 3171.48 3216.81 128.09 o
2 3 -13 1917.10 2022.15 170.10 o
-6 4 -13 892.65 602.23 354.45 o
-3 4 -13 1836.48 1750.51 171.46 o
0 4 -13 2419.84 2594.17 185.89 o
-5 5 -13 1050.97 1000.05 250.23 o
-2 5 -13 860.16 805.21 219.07 o
0 0 -12 11555.49 10168.46 307.10 o
1 1 -12 2312.17 2342.07 79.69 o
-1 2 -12 1154.94 1392.59 119.68 o
2 2 -12 1060.27 1047.05 121.43 o
-3 3 -12 6460.47 6192.74 165.35 o
0 3 -12 6482.02 6263.34 156.60 o
3 3 -12 2939.17 2867.18 303.55 o
-5 4 -12 1551.38 1559.55 187.99 o
-2 4 -12 1813.67 1894.18 136.47 o
1 4 -12 1510.99 1621.03 181.68 o
-4 5 -12 973.25 1005.11 174.01 o
-1 5 -12 1003.07 1035.17 150.31 o
-3 6 -12 2959.10 2642.41 306.53 o
-1 1 -11 2117.34 2125.53 80.48 o
-3 2 -11 2262.31 2085.40 85.56 o
0 2 -11 1589.13 1696.70 78.05 o
-5 3 -11 745.07 616.36 154.61 o
-2 3 -11 906.40 983.07 90.29 o
1 3 -11 959.13 928.15 108.71 o
-4 4 -11 1527.29 1589.53 166.92 o
-1 4 -11 2038.75 1951.91 108.98 o
2 4 -11 1427.02 1364.02 239.16 o
-6 5 -11 1254.59 1098.13 293.34 o
-3 5 -11 1344.63 1279.33 206.43 o
0 5 -11 900.44 952.03 310.52 o
-2 6 -11 398.86 364.29 213.30 o
0 1 -10 50699.53 46590.42 1007.01 o
-2 2 -10 36608.76 34119.56 433.37 o
1 2 -10 35520.08 32914.82 1391.10 o
-4 3 -10 26748.83 26082.57 811.36 o
-1 3 -10 30941.70 30649.00 1132.72 o
2 3 -10 16512.61 15932.56 837.69 o
-6 4 -10 16852.03 16037.37 572.87 o
-3 4 -10 29844.38 29543.93 1249.64 o
0 4 -10 26612.58 25809.23 1177.88 o
-5 5 -10 13946.57 14115.03 504.81 o
-2 5 -10 18912.29 19283.47 870.93 o
1 5 -10 14099.57 13824.24 831.12 o
-4 6 -10 13582.28 13346.45 1030.12 o
-1 6 -10 11125.41 10353.84 496.32 o
0 0 -9 4163.85 3830.44 96.39 o
1 1 -9 13238.99 12067.18 394.60 o
-1 2 -9 1175.27 1117.66 73.25 o
2 2 -9 1306.73 1187.87 96.15 o
-3 3 -9 2904.82 3109.19 192.13 o
0 3 -9 2939.41 2893.82 88.60 o
3 3 -9 1638.28 1634.47 269.19 o
-5 4 -9 4558.48 4568.61 183.38 o
-2 4 -9 6999.49 7311.60 224.31 o
1 4 -9 4511.19 4297.04 317.90 o
-4 5 -9 1240.22 1253.64 155.45 o
-1 5 -9 1253.01 1190.44 113.87 o
-3 6 -9 1775.35 1906.97 292.67 o
0 6 -9 1436.70 1161.44 412.11 o
-1 1 -8 9542.30 9116.81 170.35 o
-3 2 -8 5930.62 5537.11 200.21 o
0 2 -8 6810.76 6674.99 308.72 o
-5 3 -8 2996.68 2995.35 149.46 o
-2 3 -8 5578.50 5661.26 134.17 o
1 3 -8 5442.75 5399.34 317.78 o
-4 4 -8 5197.48 5146.11 247.50 o
-1 4 -8 4791.70 5035.95 131.44 o
2 4 -8 2296.11 2101.01 233.19 o
-6 5 -8 2418.31 2111.36 186.21 o
-3 5 -8 3807.66 4069.16 294.89 o
0 5 -8 2954.55 3114.62 503.87 o
-5 6 -8 1816.05 1496.44 346.63 o
-2 6 -8 2534.43 2631.38 169.34 o
-4 7 -8 2447.76 2481.52 449.78 o
0 1 -7 1510.13 1267.61 87.16 o
-2 2 -7 2265.72 2332.76 101.02 o
1 2 -7 2948.93 2721.59 130.79 o
-4 3 -7 430.25 457.12 95.59 o
-1 3 -7 833.29 883.07 58.05 o
2 3 -7 988.93 1095.37 235.92 o
-6 4 -7 1680.52 1671.26 184.61 o
-3 4 -7 1564.89 1568.83 94.61 o
0 4 -7 646.53 716.01 92.86 o
3 4 -7 264.20 177.61 294.73 o
-5 5 -7 1365.41 1162.78 152.50 o
-2 5 -7 2207.61 2017.64 141.44 o
1 5 -7 1916.15 1761.74 293.11 o
-4 6 -7 354.40 283.73 124.63 o
-1 6 -7 518.39 470.97 120.96 o
-3 7 -7 614.60 543.01 183.00 o
0 0 -6 23293.75 19485.25 447.26 o
1 1 -6 59173.59 58478.31 2258.63 o
-1 2 -6 65893.41 66465.25 2822.83 o
2 2 -6 33568.25 33225.34 1126.36 o
-3 3 -6 17676.40 18337.70 789.37 o
0 3 -6 17615.12 17520.05 992.86 o
3 3 -6 9765.75 10174.84 534.52 o
-5 4 -6 19253.01 19211.16 1164.50 o
-2 4 -6 31066.30 33126.83 1187.10 o
1 4 -6 19470.94 19713.71 1077.63 o
-7 5 -6 10859.92 10416.89 891.58 o
-4 5 -6 20761.22 21337.59 1062.10 o
-1 5 -6 20641.51 21540.90 514.11 o
-6 6 -6 7816.57 7857.55 269.76 o
-3 6 -6 9658.39 10062.59 301.39 o
0 6 -6 7701.65 8500.59 323.84 o
-5 7 -6 10260.11 8570.26 424.50 o
-2 7 -6 10456.02 10335.60 266.08 o
-1 1 -5 3543.91 3455.91 105.91 o
-3 2 -5 1762.36 1689.07 88.46 o
0 2 -5 3833.75 3916.44 230.94 o
-5 3 -5 2895.76 3066.87 109.86 o
-2 3 -5 4937.99 5444.86 217.30 o
1 3 -5 2800.99 2795.75 125.93 o
-7 4 -5 1029.87 1011.65 242.01 o
-4 4 -5 1332.17 1396.13 114.89 o
-1 4 -5 1059.19 1172.64 83.89 o
2 4 -5 801.04 781.17 186.56 o
-6 5 -5 947.45 826.46 150.96 o
-3 5 -5 1493.71 1519.47 133.29 o
0 5 -5 1676.66 1695.70 131.62 o
-5 6 -5 2469.12 2560.28 195.17 o
-2 6 -5 2433.93 2300.80 155.94 o
-4 7 -5 494.16 416.13 149.09 o
0 1 -4 66178.74 65109.46 4052.70 o
-2 2 -4 61908.91 66579.41 2550.47 o
1 2 -4 41721.79 42136.53 1602.06 o
-4 3 -4 27493.84 27647.76 1745.14 o
-1 3 -4 48287.57 51635.79 2404.16 o
2 3 -4 26719.87 28397.84 1639.81 o
-6 4 -4 13203.28 13243.65 1099.44 o
-3 4 -4 24059.79 24719.84 1242.86 o
0 4 -4 19871.90 20779.90 730.71 o
3 4 -4 9083.80 9423.16 922.24 o
-5 5 -4 20025.64 20602.85 1453.98 o
-2 5 -4 23875.89 24388.08 1054.50 o
1 5 -4 13526.74 14103.02 707.02 o
-7 6 -4 9066.77 8231.30 543.26 o
-4 6 -4 16363.28 16367.34 972.97 o
-1 6 -4 16420.10 17116.71 401.07 o
-6 7 -4 7369.37 6464.06 443.67 o
-3 7 -4 8176.89 8289.40 264.09 o
0 0 -3 5833.78 5165.93 80.02 o
1 1 -3 533.96 615.96 29.66 o
-1 2 -3 17325.19 19807.43 767.10 o
2 2 -3 6471.98 6424.75 282.99 o
-3 3 -3 2808.08 3146.68 134.19 o
0 3 -3 2759.62 2876.91 109.99 o
3 3 -3 1576.97 1633.72 154.17 o
-5 4 -3 325.11 287.01 84.65 o
-2 4 -3 163.26 146.81 39.28 o
1 4 -3 350.67 385.72 105.02 o
-7 5 -3 1717.84 1950.09 270.45 o
-4 5 -3 3685.64 3723.33 188.52 o
-1 5 -3 3731.59 3916.13 131.66 o
2 5 -3 1749.27 1824.09 276.47 o
-6 6 -3 1258.77 1322.29 220.68 o
-3 6 -3 1433.94 1467.95 135.57 o
0 6 -3 1171.74 1267.00 177.84 o
-5 7 -3 499.28 464.46 165.40 o
-2 7 -3 537.38 460.74 160.65 o
-1 1 -2 18715.71 19921.20 925.38 o
-3 2 -2 6411.98 6005.17 290.25 o
0 2 -2 7194.51 7483.41 456.08 o
-5 3 -2 3404.68 3366.15 110.94 o
-2 3 -2 9028.41 9848.62 545.36 o
1 3 -2 8874.61 9287.50 268.06 o
-7 4 -2 4052.40 3837.44 508.48 o
-4 4 -2 8170.55 8324.20 424.85 o
-1 4 -2 7244.81 7819.70 161.37 o
2 4 -2 2699.75 2672.71 197.46 o
-6 5 -2 1710.69 1596.37 126.88 o
-3 5 -2 2459.24 2491.47 191.50 o
0 5 -2 2075.92 2181.62 101.92 o
-5 6 -2 2828.69 2863.73 163.01 o
-2 6 -2 3972.54 3983.39 172.86 o
1 6 -2 3076.27 2918.22 282.52 o
-4 7 -2 3594.47 3175.74 193.52 o
-1 7 -2 2373.77 2308.97 223.91 o
0 1 -1 4436.56 4710.78 330.71 o
-2 2 -1 1931.11 2097.35 120.27 o
1 2 -1 939.39 963.77 40.64 o
-4 3 -1 3403.85 3170.05 221.37 o
-1 3 -1 3668.13 4122.00 110.97 o
2 3 -1 1623.40 1435.93 130.62 o
-6 4 -1 449.15 357.20 136.28 o
-3 4 -1 1282.55 1364.78 72.93 o
0 4 -1 2409.69 2560.29 74.58 o
3 4 -1 1779.84 1899.64 259.15 o
-5 5 -1 960.28 1044.71 106.35 o
-2 5 -1 804.41 806.63 70.03 o
1 5 -1 414.22 259.22 176.90 o
-7 6 -1 1567.24 1307.31 311.78 o
-4 6 -1 2017.35 2052.60 148.54 o
-1 6 -1 1610.84 1720.17 116.93 o
-6 7 -1 509.96 424.33 220.36 o
-3 7 -1 1004.34 943.77 157.83 o
1 1 0 76100.77 81905.02 4711.20 o
-1 2 0 76113.42 92074.09 3273.48 o
2 2 0 42412.16 42019.84 1526.07 o
-3 3 0 93101.84 98205.80 6283.64 o
0 3 0 93112.36 105384.23 3869.95 o
3 3 0 31086.81 31163.45 3095.74 o
-5 4 0 27796.41 28672.01 1417.82 o
-2 4 0 42375.53 44796.43 1551.51 o
1 4 0 27568.01 28636.53 1104.98 o
-7 5 0 14615.13 15209.66 708.02 o
-4 5 0 27600.65 28699.72 1545.85 o
-1 5 0 27812.91 29125.46 767.06 o
2 5 0 14779.78 15242.09 883.72 o
-6 6 0 21669.27 23758.94 427.98 o
-3 6 0 31117.70 31545.30 1292.16 o
0 6 0 21695.96 21720.85 513.82 o
-5 7 0 14740.12 15616.39 599.29 o
-2 7 0 14556.50 14899.54 516.54 o
-1 1 1 4444.56 4649.54 199.22 o
-3 2 1 3699.57 3931.79 240.97 o
0 2 1 1927.65 2063.20 47.06 o
-5 3 1 784.77 774.98 74.50 o
-2 3 1 919.13 971.43 43.14 o
1 3 1 1280.70 1243.47 48.36 o
-7 4 1 1006.90 995.99 217.52 o
-4 4 1 2413.54 2311.27 118.34 o
-1 4 1 3420.20 3486.07 116.41 o
2 4 1 2037.80 2023.44 223.40 o
-6 5 1 1634.52 1634.73 186.95 o
-3 5 1 1639.42 1763.39 130.37 o
0 5 1 953.59 995.38 88.46 o
-5 6 1 399.34 319.81 143.32 o
-2 6 1 443.52 427.24 100.77 o
1 6 1 513.41 651.32 229.90 o
-4 7 1 1782.26 1827.45 212.65 o
-1 7 1 1575.78 1438.80 227.27 o
0 1 2 18835.39 20915.39 557.54 o
-2 2 2 7265.85 7092.87 378.65 o
1 2 2 9156.84 9986.44 305.35 o
-4 3 2 7346.67 7090.82 502.77 o
-1 3 2 6486.17 6925.52 182.52 o
2 3 2 2502.19 2468.88 230.46 o
-6 4 2 4072.47 3820.92 219.31 o
-3 4 2 8970.67 9321.86 364.34 o
0 4 2 8254.72 8534.83 150.45 o
3 4 2 3669.63 3556.86 403.39 o
-5 5 2 2128.02 2378.22 115.43 o
-2 5 2 3501.44 3739.30 133.52 o
1 5 2 2937.67 3016.80 181.96 o
-7 6 2 2459.68 2137.85 455.12 o
-4 6 2 2789.90 3069.95 146.74 o
-1 6 2 1768.61 1812.89 118.97 o
-6 7 2 3134.89 3000.75 235.52 o
-3 7 2 4106.90 4109.95 240.06 o
0 0 3 5831.58 5063.05 230.62 o
1 1 3 17294.54 18896.32 836.91 o
-1 2 3 566.15 630.70 26.13 o
2 2 3 179.18 186.10 33.88 o
-3 3 3 2763.03 2779.71 121.82 o
0 3 3 2811.39 3059.31 98.80 o
3 3 3 1439.72 1704.04 270.87 o
-5 4 3 3718.58 3647.77 191.65 o
-2 4 3 6459.09 6594.70 217.23 o
1 4 3 3676.37 3624.51 223.30 o
-7 5 3 546.12 385.02 206.47 o
-4 5 3 358.86 363.96 85.01 o
-1 5 3 329.71 339.80 67.66 o
2 5 3 503.70 473.50 220.55 o
-6 6 3 1178.04 1300.08 202.16 o
-3 6 3 1582.50 1725.74 144.94 o
0 6 3 1264.84 1286.88 188.05 o
-5 7 3 1744.97 1728.09 207.04 o
-2 7 3 1718.03 1652.05 182.87 o
-1 1 4 66011.27 62773.23 2884.51 o
-3 2 4 48066.42 48971.73 2738.70 o
0 2 4 61671.57 66664.31 1313.23 o
-5 3 4 23752.17 21910.63 1121.40 o
-2 3 4 41651.68 42232.68 1432.91 o
1 3 4 23931.50 24426.79 998.29 o
-7 4 4 8027.36 7501.39 473.07 o
-4 4 4 19711.31 19572.74 1043.94 o
-1 4 4 27356.17 28650.13 591.68 o
2 4 4 16253.25 16185.91 904.20 o
-6 5 4 16241.25 17568.31 645.85 o
-3 5 4 26456.83 27470.34 892.38 o
0 5 4 19807.31 19899.66 666.25 o
-5 6 4 13489.17 13368.00 677.89 o
-2 6 4 13140.04 13531.78 631.04 o
-4 7 4 8972.11 9323.23 429.08 o
-1 7 4 8999.58 8885.99 536.30 o
0 1 5 3574.46 3631.52 87.42 o
-2 2 5 3861.25 4029.84 142.92 o
1 2 5 4953.26 5143.24 178.07 o
-4 3 5 1092.20 1055.71 56.92 o
-1 3 5 1816.27 1747.09 63.71 o
2 3 5 1535.79 1541.35 103.22 o
-6 4 5 2455.53 2234.57 319.24 o
-3 4 5 2825.83 2844.09 126.35 o
0 4 5 1352.66 1435.19 81.74 o
3 4 5 509.29 568.17 231.63 o
-5 5 5 1692.46 1658.37 109.77 o
-2 5 5 2902.88 2966.45 114.72 o
1 5 5 2479.82 2333.59 198.80 o
-4 6 5 843.12 772.15 122.30 o
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-6 7 5 1394.25 1471.17 418.67 o
-3 7 5 1049.88 982.43 162.86 o
0 0 6 23305.68 19170.97 184.42 o
1 1 6 66085.44 67167.60 2334.54 o
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0 3 6 17748.61 18013.27 464.41 o
3 3 6 9775.42 9650.71 692.57 o
-5 4 6 20777.50 19620.16 1452.62 o
-2 4 6 33742.10 34183.16 1004.87 o
1 4 6 20910.09 20603.00 627.12 o
-7 5 6 10513.36 10225.73 491.29 o
-4 5 6 19572.92 19799.18 581.34 o
-1 5 6 19363.90 19852.68 441.28 o
-3 6 6 9839.56 10124.55 325.94 o
0 6 6 7889.98 7818.89 572.08 o
-5 7 6 10883.29 10065.27 323.13 o
-2 7 6 11002.28 10970.27 697.82 o
-1 1 7 1515.40 1460.03 32.81 o
-3 2 7 825.97 854.80 50.56 o
0 2 7 2272.32 2419.38 92.56 o
-5 3 7 2222.77 1943.57 119.74 o
-2 3 7 2961.58 2904.47 88.84 o
1 3 7 1569.88 1508.37 77.39 o
-7 4 7 616.60 649.09 269.37 o
-4 4 7 653.44 645.67 70.41 o
-1 4 7 432.50 398.58 60.67 o
2 4 7 349.08 293.09 141.29 o
-6 5 7 507.64 375.83 140.97 o
-3 5 7 983.92 1007.29 100.79 o
0 5 7 1373.60 1271.46 106.90 o
-5 6 7 1926.51 1819.08 118.75 o
-2 6 7 1684.26 1651.78 138.97 o
-4 7 7 271.87 226.00 133.98 o
0 1 8 9474.90 9103.36 170.67 o
-2 2 8 6639.29 6468.02 161.69 o
1 2 8 5488.32 5393.72 197.94 o
-4 3 8 4732.44 4637.29 192.24 o
-1 3 8 5786.56 5930.79 129.77 o
2 3 8 3638.18 3662.02 158.29 o
-6 4 8 2480.14 2408.32 198.58 o
-3 4 8 5401.54 5412.08 200.99 o
0 4 8 5170.21 5285.27 121.64 o
3 4 8 2421.96 1932.94 383.24 o
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-2 5 8 2874.87 2817.78 106.77 o
1 5 8 1742.16 1534.69 174.23 o
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