#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/81/2208193.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_2208193_Fobs
loop_
_publ_author_name
'Teske, Christoph L.'
'Bensch, Wolfgang'
_publ_section_title
;
 Tl~4~Nb~2~Se~11~
;
_journal_coeditor_code           WM6114
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i26
_journal_page_last               i28
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.114
_cell_angle_beta                 89.260
_cell_angle_gamma                85.764
_cell_length_a                   7.9743
_cell_length_b                   9.1472
_cell_length_c                   13.6260
_exptl_crystal_F_000             1560.00
_reflns_d_resolution_high        0.7570
_[local]_cod_data_source_file    wm6114Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' Tl4Nb2Se11 Teske  in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            848.25
_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'
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 0 0 85.63 189.98 260.87 o
2 0 0 5849.90 8181.46 250.79 o
3 0 0 5201.65 6822.88 283.07 o
4 0 0 39952.47 42478.48 1053.95 o
5 0 0 3001.71 3128.17 171.56 o
6 0 0 13533.13 14863.78 446.33 o
7 0 0 9813.25 9821.64 335.62 o
8 0 0 14177.25 14391.60 453.78 o
9 0 0 1054.45 863.76 172.17 o
10 0 0 1828.48 2015.61 178.98 o
-10 1 0 6407.15 5779.22 188.55 o
-9 1 0 81.72 0.00 371.65 o
-8 1 0 1945.84 1563.43 187.23 o
-7 1 0 99430.57 102669.77 1654.33 o
-6 1 0 1253.86 1392.35 209.38 o
-5 1 0 39.11 445.40 445.40 o
-4 1 0 12983.65 13701.76 441.99 o
-3 1 0 2986.77 3759.61 177.12 o
-2 1 0 40900.62 46052.62 819.24 o
-1 1 0 2012.67 7401.36 213.37 o
0 1 0 390.06 1.87 66.64 o
1 1 0 30245.70 30718.33 523.26 o
2 1 0 1150.83 1303.92 171.99 o
3 1 0 96352.28 94570.95 1612.75 o
4 1 0 3041.03 3049.37 206.48 o
5 1 0 82419.22 77268.63 1330.18 o
6 1 0 25406.36 24026.23 561.01 o
7 1 0 10396.09 9548.24 327.01 o
8 1 0 20150.52 18641.59 493.79 o
9 1 0 266.53 165.84 386.63 o
10 1 0 106.19 -340.32 340.32 o
-10 2 0 565.83 406.93 136.45 o
-9 2 0 3063.70 2833.27 208.07 o
-8 2 0 17046.29 18160.85 595.42 o
-7 2 0 49730.28 56666.16 1305.69 o
-6 2 0 3917.37 4212.06 205.89 o
-5 2 0 10674.57 10906.87 370.40 o
-4 2 0 64.73 -384.19 384.19 o
-3 2 0 28522.17 34514.16 793.63 o
-2 2 0 441772.03 478580.09 3354.77 o
-1 2 0 27444.48 28023.41 591.60 o
0 2 0 695.85 984.54 121.18 o
1 2 0 22095.78 18429.70 611.62 o
2 2 0 173832.55 206207.23 1932.32 o
3 2 0 86858.57 81896.38 1244.92 o
4 2 0 10741.09 9600.68 311.79 o
5 2 0 13249.15 12076.09 405.91 o
6 2 0 30891.57 30117.18 773.69 o
7 2 0 12712.86 11735.50 330.36 o
8 2 0 256.80 351.93 118.11 o
9 2 0 7694.17 6609.06 172.75 o
10 2 0 1956.93 1561.73 173.69 o
-9 3 0 14157.20 13849.81 476.09 o
-8 3 0 2668.78 2879.29 246.66 o
-7 3 0 3533.62 3793.06 230.88 o
-6 3 0 56.18 -498.91 498.91 o
-5 3 0 28038.32 29230.55 941.05 o
-4 3 0 144382.08 167504.70 2054.42 o
-3 3 0 7527.09 8553.04 285.59 o
-2 3 0 1299.59 2063.40 133.25 o
-1 3 0 124773.63 132715.89 1459.71 o
0 3 0 28064.86 29777.97 493.27 o
1 3 0 87917.74 70843.69 1099.11 o
2 3 0 443.92 820.39 150.48 o
3 3 0 89595.46 108620.42 1540.41 o
4 3 0 15237.04 15557.59 484.31 o
5 3 0 61401.36 52498.39 1258.19 o
6 3 0 549.20 603.23 603.23 o
7 3 0 68.07 -202.94 613.64 o
8 3 0 8360.50 7929.06 257.60 o
9 3 0 4662.65 3649.18 207.27 o
10 3 0 190.68 191.86 384.20 o
-9 4 0 9314.14 9149.55 274.50 o
-8 4 0 3795.84 4356.68 262.72 o
-7 4 0 888.08 1397.58 164.45 o
-6 4 0 868.67 1001.69 155.29 o
-5 4 0 38957.45 45786.63 1127.41 o
-4 4 0 48964.08 56862.83 1232.32 o
-3 4 0 17031.41 18107.75 515.11 o
-2 4 0 10859.69 11669.28 386.36 o
-1 4 0 14900.86 15239.36 440.91 o
0 4 0 3001.02 3045.65 207.51 o
1 4 0 41334.36 31459.20 785.28 o
2 4 0 16762.88 15864.79 511.10 o
3 4 0 39326.96 41002.11 1069.05 o
4 4 0 1391.53 2221.78 209.92 o
5 4 0 38512.35 41535.94 1174.53 o
6 4 0 1449.52 1130.92 242.20 o
7 4 0 8505.37 7173.09 279.02 o
8 4 0 3719.47 3360.04 306.69 o
9 4 0 128.44 192.82 575.09 o
10 4 0 5284.85 4974.35 233.86 o
-9 5 0 162.17 191.86 577.99 o
-8 5 0 2362.43 2330.36 278.45 o
-7 5 0 7571.32 7810.31 267.13 o
-6 5 0 56131.72 59890.29 1486.95 o
-5 5 0 618.54 82.46 576.24 o
-4 5 0 1313.53 1159.36 248.95 o
-3 5 0 5091.19 5309.89 219.69 o
-2 5 0 241614.78 266708.94 2706.07 o
-1 5 0 13654.90 13172.69 413.29 o
0 5 0 583.76 758.95 128.74 o
1 5 0 4881.09 3825.76 170.44 o
2 5 0 22195.04 18181.78 516.49 o
3 5 0 1212.56 1104.92 220.02 o
4 5 0 4153.74 4686.17 233.53 o
5 5 0 10002.82 11925.64 409.07 o
6 5 0 18372.11 20784.57 682.36 o
7 5 0 3602.69 4132.45 277.24 o
8 5 0 647.75 815.37 203.00 o
9 5 0 805.39 907.03 200.60 o
-8 6 0 15.22 199.08 600.12 o
-7 6 0 50.04 288.26 191.85 o
-6 6 0 2750.17 3388.79 282.40 o
-5 6 0 1528.20 1974.18 282.23 o
-4 6 0 14585.87 16066.37 567.18 o
-3 6 0 1782.65 1806.40 244.20 o
-2 6 0 543.44 444.12 514.04 o
-1 6 0 752.10 761.55 205.46 o
0 6 0 4919.39 4535.85 162.83 o
1 6 0 903.01 582.21 193.91 o
2 6 0 6199.53 4544.15 201.95 o
3 6 0 7168.93 7520.03 242.25 o
4 6 0 8691.37 8258.51 335.01 o
5 6 0 806.91 1373.48 172.65 o
6 6 0 43129.09 55471.07 1530.73 o
7 6 0 2821.33 3285.54 289.65 o
8 6 0 1322.33 1443.63 207.40 o
9 6 0 131.49 420.83 627.63 o
-7 7 0 2967.52 3603.36 316.65 o
-6 7 0 1406.10 1358.34 208.86 o
-5 7 0 189.26 837.84 210.66 o
-4 7 0 51350.78 55379.98 1437.08 o
-3 7 0 6635.58 6221.98 268.61 o
-2 7 0 126.13 -419.87 586.67 o
-1 7 0 50090.20 46879.36 1240.95 o
0 7 0 21075.17 18645.26 817.51 o
1 7 0 111.58 144.62 506.64 o
2 7 0 1.91 144.61 508.53 o
3 7 0 12927.44 11535.55 401.93 o
4 7 0 25874.82 27798.93 721.13 o
5 7 0 5263.70 5141.25 269.78 o
6 7 0 3715.99 3748.91 283.03 o
7 7 0 44.86 405.87 604.95 o
8 7 0 2463.72 3153.68 217.65 o
-7 8 0 4849.39 5206.63 339.12 o
-6 8 0 1096.04 223.77 780.80 o
-5 8 0 2823.45 3189.72 344.17 o
-4 8 0 2140.37 2364.58 214.74 o
-3 8 0 4721.26 5060.97 296.74 o
-2 8 0 3328.12 2722.40 279.63 o
-1 8 0 19451.23 17515.08 553.43 o
0 8 0 822.97 692.60 198.45 o
1 8 0 28627.38 20144.63 655.11 o
2 8 0 2480.86 2141.91 237.51 o
3 8 0 6840.62 5984.35 249.71 o
4 8 0 12242.28 11988.46 346.51 o
5 8 0 29654.06 35574.55 868.48 o
6 8 0 7158.56 7814.65 287.84 o
7 8 0 67.39 -201.01 701.85 o
8 8 0 7236.48 8054.92 320.63 o
-5 9 0 17.23 0.00 747.14 o
-4 9 0 1454.95 1281.17 234.43 o
-3 9 0 14450.49 13469.82 438.47 o
-2 9 0 1677.82 1566.51 206.97 o
-1 9 0 1700.08 1727.71 200.71 o
0 9 0 1409.56 866.87 136.22 o
1 9 0 26238.37 17550.24 535.87 o
2 9 0 633.63 517.87 172.62 o
3 9 0 94.91 86.29 176.43 o
4 9 0 1071.22 1161.83 177.96 o
5 9 0 6840.79 7108.77 276.65 o
6 9 0 9959.65 11067.74 395.19 o
7 9 0 3193.69 3691.38 307.98 o
-4 10 0 3984.22 3911.54 377.63 o
-3 10 0 12228.89 11507.67 361.19 o
-2 10 0 3524.05 4137.55 345.72 o
-1 10 0 7232.33 6489.10 336.21 o
0 10 0 1142.37 1078.87 144.80 o
1 10 0 991.55 476.96 188.56 o
2 10 0 292.34 93.53 560.67 o
3 10 0 1069.59 938.99 189.05 o
4 10 0 52.95 94.00 188.48 o
5 10 0 1460.20 1304.27 279.76 o
-2 11 0 4295.21 4254.45 374.30 o
-1 11 0 1875.16 1214.78 242.19 o
0 11 0 644.23 176.24 498.32 o
1 11 0 4486.61 3072.58 198.04 o
2 11 0 1997.55 1810.71 202.64 o
3 11 0 3915.20 3014.68 302.29 o
-3 -11 1 6514.76 5078.60 310.37 o
-2 -11 1 2567.57 1726.71 202.21 o
-1 -11 1 1180.87 995.43 199.67 o
0 -11 1 1972.19 1445.65 475.71 o
1 -11 1 243.53 -124.86 873.52 o
-5 -10 1 4.43 0.00 571.20 o
-4 -10 1 2742.05 2731.78 196.92 o
-3 -10 1 3344.95 2909.85 193.12 o
-2 -10 1 53.10 -584.23 584.23 o
-1 -10 1 22073.72 15008.02 485.81 o
0 -10 1 1933.89 1562.65 146.15 o
1 -10 1 4019.68 3792.77 228.93 o
2 -10 1 538.61 590.63 709.24 o
3 -10 1 207.12 247.30 737.08 o
4 -10 1 1594.76 1434.09 259.03 o
-6 -9 1 561.83 482.15 675.49 o
-5 -9 1 260.98 741.44 184.64 o
-4 -9 1 11307.51 10229.79 278.75 o
-3 -9 1 19842.17 15528.80 457.29 o
-2 -9 1 2460.33 1706.66 181.48 o
-1 -9 1 826.97 371.32 556.98 o
0 -9 1 942.67 196.46 485.24 o
1 -9 1 21923.67 22157.49 736.78 o
2 -9 1 1549.57 1937.84 215.15 o
3 -9 1 5789.72 5872.16 338.40 o
4 -9 1 12430.79 12661.75 366.60 o
5 -9 1 4690.84 4931.70 387.43 o
-7 -8 1 2118.14 1607.22 300.12 o
-6 -8 1 20968.54 22410.53 690.60 o
-5 -8 1 2177.82 2797.46 279.41 o
-4 -8 1 578.98 -87.76 622.49 o
-3 -8 1 8929.98 7042.21 254.35 o
-2 -8 1 524.66 81.97 492.30 o
-1 -8 1 8658.33 7108.54 259.69 o
0 -8 1 2811.33 2471.68 196.12 o
1 -8 1 23673.28 23413.20 753.01 o
2 -8 1 2492.01 2818.02 293.97 o
3 -8 1 4347.48 4449.46 309.23 o
4 -8 1 258.82 -339.87 674.92 o
5 -8 1 7372.51 7977.05 359.45 o
6 -8 1 1636.17 1857.70 231.07 o
-8 -7 1 2397.67 3265.51 217.15 o
-7 -7 1 190.86 597.76 199.09 o
-6 -7 1 4241.69 4219.90 280.20 o
-5 -7 1 12728.55 13395.37 470.41 o
-4 -7 1 530.55 437.33 175.99 o
-3 -7 1 1466.45 476.19 554.35 o
-2 -7 1 17880.30 12791.08 379.85 o
-1 -7 1 70875.45 58072.21 1406.42 o
0 -7 1 7659.25 6950.72 198.15 o
1 -7 1 12776.04 12625.61 416.53 o
2 -7 1 54296.77 54022.36 1351.69 o
3 -7 1 53621.99 57416.49 1466.40 o
4 -7 1 2542.98 2990.41 321.49 o
5 -7 1 11802.08 13064.83 442.35 o
6 -7 1 1123.01 1506.20 214.14 o
7 -7 1 391.34 -219.36 653.74 o
-9 -6 1 2850.85 3310.51 311.79 o
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-7 -6 1 862.44 983.77 195.31 o
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-5 -6 1 16029.08 17895.48 612.27 o
-4 -6 1 25005.05 25395.34 700.99 o
-3 -6 1 372.42 450.81 228.06 o
-2 -6 1 9909.77 7036.44 271.42 o
-1 -6 1 13015.13 11520.59 363.14 o
0 -6 1 1464.09 1149.87 676.55 o
1 -6 1 450.36 361.16 506.29 o
2 -6 1 11705.75 12376.65 395.61 o
3 -6 1 86890.97 97634.98 1860.23 o
4 -6 1 6485.95 7769.29 297.14 o
5 -6 1 2553.85 3193.23 292.53 o
6 -6 1 20238.86 22290.10 684.96 o
7 -6 1 3975.84 4198.93 299.44 o
8 -6 1 2411.48 2384.81 206.05 o
-9 -5 1 4692.59 4659.40 296.62 o
-8 -5 1 137.30 99.79 610.76 o
-7 -5 1 1003.24 1200.90 186.16 o
-6 -5 1 3170.93 3360.77 257.41 o
-5 -5 1 1102.38 1453.87 259.52 o
-4 -5 1 115.17 -241.51 558.23 o
-3 -5 1 171726.27 167249.17 2395.19 o
-2 -5 1 328.13 361.14 180.81 o
-1 -5 1 16657.02 16368.36 524.86 o
0 -5 1 38708.21 36990.32 680.91 o
1 -5 1 29706.34 30033.70 896.71 o
2 -5 1 196.66 0.00 484.03 o
3 -5 1 199.71 538.98 231.89 o
4 -5 1 4276.22 4753.48 252.35 o
5 -5 1 369.61 -592.54 592.54 o
6 -5 1 125.43 263.68 523.51 o
7 -5 1 5420.03 6264.61 276.01 o
8 -5 1 26697.41 27792.51 782.59 o
9 -5 1 2905.45 3101.54 300.21 o
-10 -4 1 38208.70 34780.42 1135.54 o
-9 -4 1 18.68 -99.30 589.04 o
-8 -4 1 480.92 198.16 692.84 o
-7 -4 1 200.95 370.24 552.94 o
-6 -4 1 23827.74 24967.99 740.31 o
-5 -4 1 34653.38 38797.24 1125.40 o
-4 -4 1 4876.36 6187.28 226.47 o
-3 -4 1 315.91 616.20 207.33 o
-2 -4 1 16753.29 13225.75 465.12 o
-1 -4 1 52477.11 55026.27 1091.25 o
0 -4 1 10042.47 9728.58 210.36 o
1 -4 1 171866.66 186493.53 2020.47 o
2 -4 1 6730.97 6917.73 230.91 o
3 -4 1 164.37 614.18 202.96 o
4 -4 1 23691.02 26647.01 668.63 o
5 -4 1 11881.52 13546.96 459.61 o
6 -4 1 10960.24 11935.85 324.11 o
7 -4 1 3417.13 3605.02 256.91 o
8 -4 1 350.87 363.03 181.75 o
9 -4 1 6660.85 6282.85 261.10 o
-10 -3 1 1429.83 1485.60 194.86 o
-9 -3 1 348.06 -139.33 417.98 o
-8 -3 1 4848.83 4855.58 258.56 o
-7 -3 1 7662.25 7298.81 310.88 o
-6 -3 1 5366.86 4564.28 256.39 o
-5 -3 1 43766.79 37431.63 1090.58 o
-4 -3 1 187.15 121.97 425.21 o
-3 -3 1 5125.35 6314.85 247.15 o
-2 -3 1 85348.38 76900.62 1330.46 o
-1 -3 1 151705.61 165605.05 1743.24 o
0 -3 1 12321.60 13179.15 291.06 o
1 -3 1 19769.20 19842.85 583.50 o
2 -3 1 3652.46 3802.17 150.05 o
3 -3 1 4573.81 4841.28 182.53 o
4 -3 1 2345.26 2452.99 193.67 o
5 -3 1 9094.57 9650.08 278.50 o
6 -3 1 43113.35 47435.88 1232.45 o
7 -3 1 19354.32 20744.00 655.00 o
8 -3 1 60.95 82.91 169.19 o
9 -3 1 8081.10 7585.47 226.94 o
-10 -2 1 2549.88 2162.50 176.15 o
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-7 -2 1 25784.85 23684.67 599.80 o
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-4 -2 1 14864.41 13424.87 436.64 o
-3 -2 1 85746.95 77479.30 1204.77 o
-2 -2 1 7144.13 7766.14 266.02 o
-1 -2 1 33035.29 32939.43 724.58 o
0 -2 1 42251.10 43453.89 501.41 o
1 -2 1 150992.23 154153.58 1516.90 o
2 -2 1 118.92 361.09 407.86 o
3 -2 1 17762.64 19539.20 479.31 o
4 -2 1 4990.25 5464.68 238.25 o
5 -2 1 495.40 201.08 465.81 o
6 -2 1 11604.38 14135.94 442.55 o
7 -2 1 1166.51 1396.42 233.46 o
8 -2 1 2974.07 2931.04 208.08 o
9 -2 1 5141.07 4757.02 200.06 o
10 -2 1 777.90 930.63 199.15 o
-10 -1 1 1812.05 1634.47 176.09 o
-9 -1 1 7298.71 6507.68 228.84 o
-8 -1 1 10.74 -388.51 388.51 o
-7 -1 1 43683.71 43752.75 954.48 o
-6 -1 1 13091.91 12526.46 387.77 o
-5 -1 1 12402.98 12359.22 363.84 o
-4 -1 1 806.17 211.30 561.54 o
-3 -1 1 102287.66 101689.47 1695.60 o
-2 -1 1 215.98 -277.27 385.77 o
-1 -1 1 34993.00 29570.78 629.59 o
0 -1 1 1035.37 1161.18 57.12 o
1 -1 1 279.11 202.11 342.48 o
2 -1 1 6905.65 6874.21 252.69 o
3 -1 1 4614.96 4562.55 211.40 o
4 -1 1 19379.20 21887.35 575.81 o
5 -1 1 11864.50 14086.74 424.42 o
6 -1 1 4968.14 5256.91 194.93 o
7 -1 1 9825.59 9549.31 311.33 o
8 -1 1 3182.16 3158.91 183.01 o
9 -1 1 2777.07 2189.49 182.46 o
10 -1 1 1376.16 1111.29 186.18 o
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1 0 1 12501.04 11945.08 381.33 o
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3 0 1 27111.06 28098.10 843.05 o
4 0 1 19334.25 20791.38 536.48 o
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6 0 1 1252.76 1462.81 162.59 o
7 0 1 2506.46 2621.49 164.63 o
8 0 1 14245.23 13883.60 448.92 o
9 0 1 20079.93 18541.56 517.10 o
10 0 1 3367.15 3083.52 174.77 o
-10 1 1 215.20 256.46 128.23 o
-9 1 1 543.12 383.79 448.40 o
-8 1 1 1624.96 1381.75 196.84 o
-7 1 1 602.95 427.71 501.01 o
-6 1 1 8349.23 9005.08 330.68 o
-5 1 1 79377.37 86817.85 1369.85 o
-4 1 1 37374.74 39982.42 881.73 o
-3 1 1 23610.24 26215.63 722.43 o
-2 1 1 3257.51 4147.66 155.18 o
-1 1 1 20963.03 23894.69 430.90 o
0 1 1 1868.29 148.12 44.16 o
1 1 1 645.09 3753.92 131.38 o
2 1 1 5405.25 7006.35 256.21 o
3 1 1 72048.68 71800.70 1360.02 o
4 1 1 231.35 706.82 210.69 o
5 1 1 5453.63 4702.23 171.91 o
6 1 1 952.19 820.97 164.96 o
7 1 1 4412.31 4089.23 158.06 o
8 1 1 7615.41 7164.85 212.99 o
9 1 1 21294.55 18198.26 494.53 o
10 1 1 8026.62 6188.72 225.47 o
-10 2 1 4212.00 4065.02 209.60 o
-9 2 1 750.24 868.93 144.66 o
-8 2 1 1394.88 1614.07 229.62 o
-7 2 1 61839.74 69347.78 1405.74 o
-6 2 1 1629.49 1645.53 196.88 o
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-2 2 1 42629.43 42321.22 770.48 o
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