#------------------------------------------------------------------------------
#$Date: 2016-04-02 22:22:02 +0300 (Sat, 02 Apr 2016) $
#$Revision: 180855 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/86/2018695.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_2018695_Fobs
loop_
_publ_author_name
'Feldmann, Claus'
'Freudenmann, Dominic'
_publ_section_title
;
 [Te~8~][NbOCl~4~]~2~ containing an infinite chain-like
 {[Te--Te--Te--(Te~5~)]^2+^}~<i>n~</i> polycation
;
_journal_coeditor_code           YP3015
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i68
_journal_page_last               i70
_journal_volume                  68
_journal_year                    2012
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                80.850
_cell_angle_beta                 82.170
_cell_angle_gamma                78.840
_cell_length_a                   7.8670
_cell_length_b                   12.0490
_cell_length_c                   12.4810
_exptl_crystal_F_000             1300.00
_reflns_d_resolution_high        0.8000
_cod_data_source_file            yp3015Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' p108 in P-1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            512.88
_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 5500.05 5493.70 959.60 o
2 0 0 4236.18 4383.17 802.20 o
3 0 0 13793.38 13204.54 786.17 o
4 0 0 80231.20 75402.82 1927.77 o
5 0 0 435.45 596.71 503.51 o
6 0 0 52437.33 57869.95 1156.28 o
7 0 0 5112.32 5552.66 697.23 o
8 0 0 281.19 334.42 672.91 o
9 0 0 308.88 133.34 769.17 o
-9 1 0 5638.03 6045.93 808.63 o
-8 1 0 21.27 118.87 666.50 o
-7 1 0 32.20 228.66 592.60 o
-6 1 0 1706.97 2209.49 886.29 o
-5 1 0 709.56 838.18 605.71 o
-4 1 0 1031.80 1440.66 547.31 o
-3 1 0 33074.01 33332.61 1075.00 o
-2 1 0 42286.38 40759.34 1425.62 o
-1 1 0 10283.51 10305.27 1049.92 o
0 1 0 0.13 138.16 467.36 o
1 1 0 17895.65 17632.25 1195.03 o
2 1 0 3615.13 3531.90 1121.28 o
3 1 0 4523.37 4460.23 606.99 o
4 1 0 50009.14 50525.09 1107.08 o
5 1 0 297.38 296.94 478.54 o
6 1 0 1549.51 1915.25 589.31 o
7 1 0 477.94 640.93 583.91 o
8 1 0 3716.56 3323.91 706.90 o
9 1 0 1498.11 1716.70 738.55 o
-9 2 0 1829.93 1643.28 791.57 o
-8 2 0 27.97 153.00 699.26 o
-7 2 0 5661.91 6101.72 1050.30 o
-6 2 0 1354.92 1414.04 626.78 o
-5 2 0 60.56 221.79 555.18 o
-4 2 0 24063.70 23919.03 873.49 o
-3 2 0 94.64 213.04 573.24 o
-2 2 0 12479.97 12681.46 865.32 o
-1 2 0 31375.57 29245.78 1404.78 o
0 2 0 127533.00 139320.41 3952.31 o
1 2 0 5542.42 5823.18 867.89 o
2 2 0 2441.35 2023.89 669.82 o
3 2 0 4682.53 4741.20 523.51 o
4 2 0 2366.56 2682.15 596.29 o
5 2 0 79.12 146.53 492.52 o
6 2 0 9831.24 10226.90 608.49 o
7 2 0 12360.95 14153.77 743.30 o
8 2 0 5311.61 5393.62 762.66 o
9 2 0 2779.28 2517.11 730.88 o
-9 3 0 120.44 798.72 858.12 o
-8 3 0 3142.18 2787.16 808.89 o
-7 3 0 822.02 942.08 785.59 o
-6 3 0 5757.95 6396.43 710.73 o
-5 3 0 2887.21 2775.76 645.84 o
-4 3 0 3975.22 3822.59 584.57 o
-3 3 0 1354.41 1288.58 632.50 o
-2 3 0 7469.83 6919.00 721.07 o
-1 3 0 25433.61 22210.42 1010.41 o
0 3 0 989.75 1089.69 759.52 o
1 3 0 1709.21 2316.02 640.20 o
2 3 0 86023.94 84683.57 3893.51 o
3 3 0 15923.38 14371.35 769.77 o
4 3 0 468.16 319.85 561.61 o
5 3 0 523.72 333.29 513.42 o
6 3 0 7568.95 7610.66 660.40 o
7 3 0 2417.32 2529.13 590.42 o
8 3 0 2134.07 1858.17 676.13 o
9 3 0 200.91 572.47 684.23 o
-8 4 0 13588.03 12484.81 1287.54 o
-7 4 0 3012.85 3305.59 751.82 o
-6 4 0 4347.19 4712.58 677.69 o
-5 4 0 531.14 364.66 610.91 o
-4 4 0 10526.33 10649.16 681.68 o
-3 4 0 4019.89 3860.64 614.03 o
-2 4 0 61641.14 51608.27 1325.27 o
-1 4 0 26556.91 23054.29 1266.41 o
0 4 0 56711.32 52816.23 1202.88 o
1 4 0 36137.01 31645.71 989.71 o
2 4 0 11957.56 12178.32 1046.76 o
3 4 0 17352.23 16211.96 1563.39 o
4 4 0 49386.69 49352.20 1263.98 o
5 4 0 6374.09 5914.67 843.88 o
6 4 0 2182.44 2784.31 489.41 o
7 4 0 1327.41 1226.01 471.38 o
8 4 0 14078.95 15207.14 785.90 o
9 4 0 178.21 289.68 695.72 o
-8 5 0 5134.95 5732.19 803.95 o
-7 5 0 68.30 54.38 770.73 o
-6 5 0 259.60 626.86 669.52 o
-5 5 0 27170.56 28652.84 2859.64 o
-4 5 0 57700.91 56684.86 5019.05 o
-3 5 0 1213.45 727.26 578.69 o
-2 5 0 15003.41 14167.07 794.75 o
-1 5 0 43383.36 38424.03 958.30 o
0 5 0 3293.17 2820.86 615.55 o
1 5 0 89142.31 79466.01 1831.25 o
2 5 0 18518.24 19130.61 751.64 o
3 5 0 3278.95 3351.74 480.89 o
4 5 0 96.06 402.92 472.82 o
5 5 0 28233.97 27869.98 778.71 o
6 5 0 4168.52 3819.42 520.73 o
7 5 0 1880.11 1711.35 607.26 o
8 5 0 69.29 -173.05 634.79 o
9 5 0 0.12 -40.32 490.32 o
-8 6 0 17425.45 14344.63 3628.40 o
-7 6 0 65.80 609.65 694.05 o
-6 6 0 1973.68 1924.49 717.81 o
-5 6 0 1992.29 2167.22 642.76 o
-4 6 0 28241.72 27448.18 845.89 o
-3 6 0 520.95 555.49 546.93 o
-2 6 0 54692.86 51961.81 3840.00 o
-1 6 0 3500.79 2724.38 558.61 o
0 6 0 30763.87 27762.01 769.72 o
1 6 0 114.05 213.06 625.45 o
2 6 0 20367.33 21546.65 4669.15 o
3 6 0 1353.00 4804.55 484.50 o
4 6 0 1232.86 932.31 500.15 o
5 6 0 1307.52 1366.81 460.84 o
6 6 0 12050.94 11476.20 848.13 o
7 6 0 132.27 270.67 576.66 o
8 6 0 9244.88 10222.98 724.09 o
9 6 0 5.12 49.87 680.71 o
-7 7 0 2765.45 2552.14 747.18 o
-6 7 0 5107.15 5655.96 734.96 o
-5 7 0 605.00 842.19 628.01 o
-4 7 0 20066.61 21392.74 2100.87 o
-3 7 0 4382.17 4528.14 644.29 o
-2 7 0 8463.43 7489.28 647.54 o
-1 7 0 18161.47 18089.00 1727.63 o
0 7 0 5124.89 4972.42 499.51 o
1 7 0 26790.38 26634.45 899.50 o
2 7 0 35911.52 35642.03 2452.56 o
3 7 0 8.17 358.52 453.10 o
4 7 0 3994.75 4195.27 528.09 o
5 7 0 32098.71 32353.45 1779.13 o
6 7 0 8802.79 9135.38 700.48 o
7 7 0 66.63 184.59 868.06 o
8 7 0 3208.80 4000.22 1279.99 o
9 7 0 1958.02 2464.45 742.46 o
-7 8 0 370.09 655.50 746.12 o
-6 8 0 460.11 565.29 704.75 o
-5 8 0 365.50 358.69 410.14 o
-4 8 0 3378.85 3397.66 629.67 o
-3 8 0 1066.65 1236.50 486.00 o
-2 8 0 2142.92 1631.44 436.12 o
-1 8 0 6613.27 7074.91 688.51 o
0 8 0 73872.39 73145.61 1194.24 o
1 8 0 125.24 -113.10 418.12 o
2 8 0 1749.06 1941.54 457.59 o
3 8 0 1.45 -29.04 469.48 o
4 8 0 16044.76 18144.10 764.93 o
5 8 0 4042.67 3990.70 671.33 o
6 8 0 6046.60 6151.73 653.36 o
7 8 0 4166.63 3143.89 676.59 o
8 8 0 19.25 260.42 641.66 o
9 8 0 779.26 739.78 733.94 o
-6 9 0 202.00 393.57 698.45 o
-5 9 0 3699.30 3556.60 803.13 o
-4 9 0 5989.58 6460.30 1665.54 o
-3 9 0 57.49 481.81 592.52 o
-2 9 0 8234.20 7863.81 566.33 o
-1 9 0 7560.82 8150.22 929.09 o
0 9 0 9393.62 9161.43 689.09 o
1 9 0 45.04 535.99 478.14 o
2 9 0 52.67 266.28 460.00 o
3 9 0 1627.37 1304.77 509.86 o
4 9 0 1479.23 2641.24 561.64 o
5 9 0 86.45 266.67 634.09 o
6 9 0 2516.72 2512.32 642.25 o
7 9 0 3544.36 2857.42 500.46 o
8 9 0 1875.21 1433.71 708.64 o
-5 10 0 199.53 -23.14 687.03 o
-4 10 0 17311.30 15932.40 3213.98 o
-3 10 0 6585.78 6414.01 596.06 o
-2 10 0 106.50 621.20 596.29 o
-1 10 0 1827.32 1943.16 661.12 o
0 10 0 25952.33 30670.31 1573.95 o
1 10 0 14.85 -195.00 464.88 o
2 10 0 1471.51 2136.43 503.27 o
3 10 0 670.94 1628.63 484.98 o
4 10 0 209.52 580.29 508.65 o
5 10 0 90.55 618.64 627.74 o
6 10 0 8959.39 8806.54 545.23 o
7 10 0 2722.39 2028.80 602.47 o
8 10 0 162.55 -471.46 1092.59 o
-5 11 0 278.97 -12.28 721.14 o
-4 11 0 5.72 -62.57 692.24 o
-3 11 0 13618.76 13830.76 771.18 o
-2 11 0 751.04 802.99 674.36 o
-1 11 0 1944.91 2427.62 490.71 o
0 11 0 2863.43 2944.80 647.90 o
1 11 0 4532.89 5610.55 658.25 o
2 11 0 3.01 -7.13 496.96 o
3 11 0 2076.97 2319.73 523.20 o
4 11 0 872.47 1426.32 517.94 o
5 11 0 66.67 179.51 526.15 o
6 11 0 501.96 868.01 542.24 o
7 11 0 63.70 614.87 713.24 o
-4 12 0 47.88 8.46 703.33 o
-3 12 0 2063.42 1738.26 679.40 o
-2 12 0 7754.15 8925.88 637.81 o
-1 12 0 1558.68 1881.95 674.58 o
0 12 0 4924.71 5669.69 701.35 o
1 12 0 1208.43 1235.89 477.61 o
2 12 0 4120.12 3980.46 493.89 o
3 12 0 23.86 -592.72 592.72 o
4 12 0 460.12 931.76 529.30 o
5 12 0 1379.53 1540.76 697.87 o
6 12 0 7652.51 6258.92 561.10 o
7 12 0 50.45 131.47 734.55 o
-3 13 0 1729.20 1584.99 601.62 o
-2 13 0 2.61 12.86 611.20 o
-1 13 0 2372.03 2711.31 731.05 o
0 13 0 2821.99 3690.93 1241.08 o
1 13 0 639.77 940.65 682.69 o
2 13 0 1530.61 1278.69 706.10 o
3 13 0 188.53 424.33 759.59 o
4 13 0 1578.47 1312.22 504.52 o
5 13 0 401.47 769.34 680.58 o
6 13 0 1845.39 1292.14 558.61 o
-1 14 0 1174.52 547.12 822.24 o
0 14 0 17.75 638.54 969.06 o
1 14 0 303.73 233.89 709.72 o
2 14 0 0.23 -229.62 833.11 o
3 14 0 2444.86 2927.62 712.06 o
4 14 0 50.29 583.31 729.58 o
-4 -14 1 3318.33 3067.30 558.66 o
-3 -14 1 101.71 -195.88 500.61 o
-2 -14 1 0.21 180.12 597.42 o
-1 -14 1 158.48 -48.72 722.26 o
0 -14 1 5829.44 5257.45 673.16 o
1 -14 1 111.40 810.57 614.59 o
-5 -13 1 35.53 995.67 710.15 o
-4 -13 1 2558.63 2695.23 712.94 o
-3 -13 1 481.56 547.22 676.39 o
-2 -13 1 2155.91 2458.87 579.94 o
-1 -13 1 0.07 -262.99 703.74 o
0 -13 1 321.54 785.15 705.88 o
1 -13 1 6384.34 7081.71 1462.78 o
2 -13 1 2385.55 2047.13 1064.79 o
3 -13 1 512.77 368.49 763.80 o
-6 -12 1 1299.93 1380.88 686.28 o
-5 -12 1 11.04 303.82 536.90 o
-4 -12 1 4072.88 3820.08 606.16 o
-3 -12 1 5649.89 5540.07 587.27 o
-2 -12 1 2664.15 2508.69 494.33 o
-1 -12 1 27.33 1012.21 669.74 o
0 -12 1 6908.49 8632.17 968.11 o
1 -12 1 0.42 -209.62 565.25 o
2 -12 1 416.28 514.98 532.07 o
3 -12 1 3679.21 3459.16 654.17 o
4 -12 1 485.46 896.72 748.73 o
-7 -11 1 376.88 1059.56 826.99 o
-6 -11 1 213.86 1164.69 573.38 o
-5 -11 1 6293.24 5800.34 563.69 o
-4 -11 1 21.17 2111.80 642.38 o
-3 -11 1 146.57 -109.99 581.22 o
-2 -11 1 3859.81 3929.21 647.03 o
-1 -11 1 819.33 1070.77 787.26 o
0 -11 1 43.31 350.23 444.77 o
1 -11 1 158.22 545.36 653.48 o
2 -11 1 75.32 710.37 562.00 o
3 -11 1 2187.52 2164.57 669.65 o
4 -11 1 619.72 1019.28 586.84 o
5 -11 1 376.04 439.94 725.89 o
-8 -10 1 0.61 -59.84 628.57 o
-7 -10 1 5246.28 5487.38 729.82 o
-6 -10 1 13284.48 11927.86 1786.87 o
-5 -10 1 463.29 438.04 745.96 o
-4 -10 1 2418.36 3019.48 702.94 o
-3 -10 1 831.63 989.44 508.51 o
-2 -10 1 29175.32 30773.04 998.06 o
-1 -10 1 5155.50 5593.40 661.83 o
0 -10 1 281.92 425.21 618.26 o
1 -10 1 154.85 772.62 544.86 o
2 -10 1 2106.69 2562.68 631.57 o
3 -10 1 3475.17 3522.19 586.80 o
4 -10 1 5056.57 4344.43 688.11 o
5 -10 1 88.06 -185.60 664.51 o
-8 -9 1 3224.08 3251.55 998.94 o
-7 -9 1 6176.93 6547.91 1131.48 o
-6 -9 1 8.50 441.88 648.10 o
-5 -9 1 2326.25 3002.31 637.14 o
-4 -9 1 112.22 3703.68 594.52 o
-3 -9 1 2723.01 5479.52 1050.35 o
-2 -9 1 10159.98 10019.19 601.16 o
-1 -9 1 146.40 360.43 600.17 o
0 -9 1 671.89 711.65 518.28 o
1 -9 1 1131.72 1393.50 521.69 o
2 -9 1 4122.07 3678.62 589.07 o
3 -9 1 209.29 206.80 506.83 o
4 -9 1 5425.97 5773.32 598.96 o
5 -9 1 94.39 462.49 506.65 o
6 -9 1 313.72 440.30 578.89 o
-8 -8 1 5545.26 5677.64 723.76 o
-7 -8 1 3013.03 3272.50 553.57 o
-6 -8 1 13097.92 13361.49 2211.64 o
-5 -8 1 4479.26 4854.12 711.33 o
-4 -8 1 177.44 3055.15 836.93 o
-3 -8 1 28415.80 27934.03 2516.32 o
-2 -8 1 31269.91 30757.30 801.34 o
-1 -8 1 7033.28 6115.16 551.54 o
0 -8 1 7063.38 6677.18 574.52 o
1 -8 1 6648.75 7276.46 678.22 o
2 -8 1 2268.25 1958.37 632.42 o
3 -8 1 4443.76 4643.18 558.72 o
4 -8 1 2390.31 2056.35 623.11 o
5 -8 1 517.13 397.75 661.93 o
6 -8 1 19166.07 15934.79 2937.73 o
7 -8 1 2293.11 1936.50 646.33 o
-9 -7 1 0.49 146.80 709.03 o
-8 -7 1 1445.97 1597.18 680.87 o
-7 -7 1 390.04 147.04 421.21 o
-6 -7 1 1183.34 1196.70 585.90 o
-5 -7 1 18662.42 17610.57 1826.98 o
-4 -7 1 3530.62 2959.69 590.97 o
-3 -7 1 14216.10 15156.50 1321.01 o
-2 -7 1 58.68 -47.83 556.32 o
-1 -7 1 3946.77 4065.98 578.46 o
0 -7 1 715.23 867.43 591.32 o
1 -7 1 3351.07 2725.66 667.97 o
2 -7 1 2852.00 2840.86 627.13 o
3 -7 1 3277.46 3499.10 626.37 o
4 -7 1 41.65 415.98 579.71 o
5 -7 1 2020.31 1922.36 657.91 o
6 -7 1 30.42 282.76 646.43 o
7 -7 1 534.29 373.99 712.18 o
-9 -6 1 545.35 744.70 739.11 o
-8 -6 1 8219.43 8084.44 702.50 o
-7 -6 1 188.60 480.34 598.52 o
-6 -6 1 92.83 301.21 431.28 o
-5 -6 1 14528.42 13581.00 686.16 o
-4 -6 1 1008.75 1102.21 457.57 o
-3 -6 1 1763.46 1899.50 493.72 o
-2 -6 1 2212.93 1945.11 463.03 o
-1 -6 1 71419.45 66045.55 1063.26 o
0 -6 1 17239.11 15414.95 793.01 o
1 -6 1 5387.06 5478.43 725.35 o
2 -6 1 48928.89 46124.29 3978.53 o
3 -6 1 18796.33 17982.29 624.91 o
4 -6 1 26.55 91.45 476.34 o
5 -6 1 15233.58 14133.16 1926.97 o
6 -6 1 28891.22 24806.54 3328.18 o
7 -6 1 5191.57 5205.57 774.10 o
8 -6 1 1038.39 1075.26 786.56 o
-9 -5 1 142.15 452.75 682.62 o
-8 -5 1 685.08 1009.10 647.13 o
-7 -5 1 27.74 89.32 496.31 o
-6 -5 1 2216.85 2224.75 444.97 o
-5 -5 1 2280.57 2501.89 549.88 o
-4 -5 1 12800.53 12139.03 594.91 o
-3 -5 1 1289.02 1599.81 599.15 o
-2 -5 1 4084.33 9148.64 723.37 o
-1 -5 1 1633.34 2145.19 593.29 o
0 -5 1 26248.73 23101.81 916.04 o
1 -5 1 556.97 742.98 601.42 o
2 -5 1 9129.27 7925.47 629.59 o
3 -5 1 421.98 260.08 596.76 o
4 -5 1 1838.34 2245.66 591.71 o
5 -5 1 174.80 202.10 618.44 o
6 -5 1 12790.10 13344.36 1663.27 o
7 -5 1 63.02 228.12 661.25 o
8 -5 1 3512.94 2391.32 748.72 o
-9 -4 1 4378.18 4623.97 770.27 o
-8 -4 1 441.42 819.94 653.58 o
-7 -4 1 7.31 286.32 620.66 o
-6 -4 1 1357.24 1568.87 591.92 o
-5 -4 1 1833.64 1798.06 535.00 o
-4 -4 1 16842.31 15742.41 740.46 o
-3 -4 1 8810.91 7991.85 569.22 o
-2 -4 1 4177.76 3758.28 493.12 o
-1 -4 1 55547.39 55734.59 1402.81 o
0 -4 1 351.29 987.48 953.22 o
1 -4 1 2872.54 2737.74 702.10 o
2 -4 1 7625.07 6621.34 638.86 o
3 -4 1 15202.89 13839.38 775.68 o
4 -4 1 16755.56 16154.10 666.81 o
5 -4 1 5993.21 6226.99 665.09 o
6 -4 1 4738.60 4809.45 651.22 o
7 -4 1 2726.45 3086.93 710.60 o
8 -4 1 1607.68 1556.59 733.95 o
-9 -3 1 2925.17 2589.14 751.13 o
-8 -3 1 1011.37 1367.95 675.78 o
-7 -3 1 13385.97 13789.32 758.71 o
-6 -3 1 8.32 260.03 584.24 o
-5 -3 1 10033.81 9855.94 630.81 o
-4 -3 1 11940.70 12119.70 701.92 o
-3 -3 1 11203.51 10544.73 705.50 o
-2 -3 1 49243.91 46662.16 1349.93 o
-1 -3 1 62641.94 59080.97 1390.07 o
0 -3 1 29990.26 26268.40 1934.01 o
1 -3 1 23542.27 19831.28 845.88 o
2 -3 1 11803.34 11120.72 719.40 o
3 -3 1 15926.87 15301.31 825.30 o
4 -3 1 1292.98 906.08 435.38 o
5 -3 1 1110.81 1068.12 567.89 o
6 -3 1 223.23 887.87 598.77 o
7 -3 1 6897.16 7345.60 734.06 o
8 -3 1 2222.53 2341.96 729.92 o
9 -3 1 108.35 -111.61 842.19 o
-9 -2 1 189.75 277.59 765.98 o
-8 -2 1 575.57 985.55 699.37 o
-7 -2 1 1801.39 1550.73 616.87 o
-6 -2 1 7061.41 7474.25 698.31 o
-5 -2 1 4285.09 4247.23 577.33 o
-4 -2 1 1665.28 1630.89 781.73 o
-3 -2 1 0.76 47.32 526.48 o
-2 -2 1 204388.06 202343.83 3387.45 o
-1 -2 1 10498.41 8517.18 823.83 o
0 -2 1 58.85 456.96 924.28 o
1 -2 1 3431.68 2711.40 874.38 o
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