#------------------------------------------------------------------------------ #$Date: 2016-04-03 06:51:20 +0300 (Sun, 03 Apr 2016) $ #$Revision: 181302 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/80/2238077.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_2238077_Fobs loop_ _publ_author_name 'Wang, Peng Li' 'Mozharivskyj, Yurij' _publ_section_title ; The low-symmetry lanthanum(III) oxotellurate(IV), La~10~Te~12~O~39~ ; _journal_coeditor_code WM2737 _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i36 _journal_volume 69 _journal_year 2013 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 95.528 _cell_angle_beta 100.877 _cell_angle_gamma 93.125 _cell_length_a 5.6856 _cell_length_b 12.6206 _cell_length_c 14.4021 _exptl_crystal_F_000 1506.00 _reflns_d_resolution_high 0.5999 _cod_data_source_file wm2737Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' La10Te12O39' _shelx_refln_list_code 4 _shelx_f_calc_maximum 930.42 _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 2 0 0 3358.56 2957.33 1026.51 o 3 0 0 19194.15 19213.30 1029.99 o 4 0 0 9219.12 8570.31 857.03 o 5 0 0 24.17 437.68 653.88 o 6 0 0 969.56 1280.26 924.91 o 7 0 0 4458.97 4777.59 1111.52 o 8 0 0 12081.16 12596.35 1008.32 o 9 0 0 141.40 681.11 1389.85 o -9 1 0 1356.17 1025.56 1328.58 o -8 1 0 2090.03 2465.16 1018.32 o -7 1 0 16482.32 16735.84 1156.56 o -6 1 0 153.13 85.71 668.69 o -5 1 0 2084.81 1758.60 906.09 o -4 1 0 56814.79 55156.18 1178.59 o -3 1 0 0.52 199.49 939.06 o -2 1 0 19687.44 18762.55 1198.88 o -1 1 0 204.02 311.58 1188.24 o 1 1 0 7301.31 7269.23 1520.20 o 2 1 0 22635.78 23331.68 1157.32 o 3 1 0 11804.67 11674.75 949.13 o 4 1 0 7533.32 7123.86 572.39 o 5 1 0 17973.20 17389.67 677.75 o 6 1 0 5141.02 5531.51 960.94 o 7 1 0 0.69 -96.43 809.77 o 8 1 0 1155.87 1137.33 1021.86 o 9 1 0 4774.74 3517.34 1332.44 o -9 2 0 2470.37 2937.95 1426.24 o -8 2 0 10498.04 10866.37 1490.22 o -7 2 0 1068.25 1251.04 1221.84 o -6 2 0 621.90 1504.67 724.15 o -5 2 0 12375.43 11304.91 1073.16 o -4 2 0 37112.36 37054.38 1073.10 o -3 2 0 13960.26 13830.73 1005.15 o -2 2 0 8545.51 7454.63 810.51 o -1 2 0 19394.98 19700.91 1584.24 o 0 2 0 5275.63 5198.80 1305.79 o 1 2 0 6432.07 6190.52 807.16 o 2 2 0 634.21 939.79 964.14 o 3 2 0 34391.26 33419.48 1062.21 o 4 2 0 1439.03 1388.06 803.61 o 5 2 0 44833.33 43461.55 745.56 o 6 2 0 2147.71 1599.77 669.81 o 7 2 0 2778.35 2874.79 805.95 o 8 2 0 8198.47 8018.80 1033.08 o 9 2 0 744.58 1424.62 1205.52 o -9 3 0 360.07 1343.02 1500.68 o -8 3 0 2513.57 1875.13 1490.36 o -7 3 0 11749.68 11883.93 1266.64 o -6 3 0 1692.76 2444.56 1193.06 o -5 3 0 1336.28 1207.59 993.34 o -4 3 0 1375.92 2191.59 939.95 o -3 3 0 6373.01 6010.64 699.17 o -2 3 0 11362.19 10908.26 923.68 o -1 3 0 373.03 176.07 1527.49 o 0 3 0 72.09 408.20 1145.30 o 1 3 0 848719.69 924898.69 10767.19 o 2 3 0 1380.63 1784.98 652.50 o 3 3 0 114.64 627.72 802.90 o 4 3 0 15858.53 14882.07 904.63 o 5 3 0 5388.58 5280.23 883.29 o 6 3 0 437.31 468.17 749.46 o 7 3 0 36.05 1426.63 817.12 o 8 3 0 4737.51 5148.50 912.25 o 9 3 0 7771.41 5847.77 1233.98 o -9 4 0 6781.17 5068.52 1576.99 o -8 4 0 3272.38 3459.05 1510.29 o -7 4 0 3675.10 5078.03 1462.00 o -6 4 0 19321.21 19752.52 1227.78 o -5 4 0 6029.92 6356.41 1137.51 o -4 4 0 457.35 593.78 1031.82 o -3 4 0 27846.15 28803.30 873.03 o -2 4 0 712.98 676.16 894.24 o -1 4 0 2668.07 2649.95 1316.47 o 0 4 0 429.00 703.30 923.81 o 1 4 0 2908.32 2992.68 712.70 o 2 4 0 9664.45 8801.66 570.03 o 3 4 0 29588.43 30723.24 847.74 o 4 4 0 2159.34 2479.99 842.90 o 5 4 0 1815.96 2293.93 842.57 o 6 4 0 5480.74 4977.89 650.92 o 7 4 0 851.66 1012.10 713.96 o 8 4 0 1013.78 1131.03 938.70 o -9 5 0 21.19 945.10 1704.50 o -8 5 0 4624.82 4957.33 1574.45 o -6 5 0 93.62 467.12 1318.63 o -5 5 0 3.26 209.22 1158.01 o -4 5 0 15172.11 14494.51 841.22 o -3 5 0 27996.58 27964.90 884.66 o -2 5 0 12951.12 13249.97 1061.49 o -1 5 0 3314.81 3510.56 1153.71 o 0 5 0 1009.43 832.08 905.03 o 1 5 0 1071.77 1560.88 622.91 o 2 5 0 5025.29 4945.72 570.28 o 3 5 0 280.39 567.68 650.63 o 4 5 0 43320.18 43231.77 1085.88 o 5 5 0 338.31 605.26 748.61 o 6 5 0 29779.06 29515.99 665.47 o 7 5 0 2123.59 1882.34 784.44 o 8 5 0 4785.09 5514.59 1068.45 o -9 6 0 610.05 1457.36 1801.52 o -8 6 0 32.06 807.70 1591.07 o -6 6 0 9895.69 10490.10 1466.46 o -5 6 0 2874.53 3489.10 1203.64 o -4 6 0 5930.57 6230.04 854.09 o -3 6 0 2740.03 3034.51 878.87 o -2 6 0 5631.32 6056.61 1098.12 o -1 6 0 4455.50 5492.45 988.57 o 0 6 0 6147.87 6752.21 820.07 o 1 6 0 161.22 383.89 578.86 o 2 6 0 309285.63 321565.72 1691.90 o 3 6 0 64.34 357.19 664.64 o 4 6 0 81.21 426.02 678.05 o 5 6 0 5859.03 6052.93 734.13 o 6 6 0 1434.16 1696.05 802.59 o 7 6 0 1241.97 838.46 817.53 o 8 6 0 24.77 990.25 1100.90 o -8 7 0 9914.15 8996.83 1709.50 o -7 7 0 4708.74 5011.69 1779.44 o -6 7 0 4586.46 4949.01 1560.28 o -5 7 0 34362.01 33708.24 1299.74 o -4 7 0 15868.41 15660.66 885.18 o -3 7 0 1996.98 1496.85 935.23 o -2 7 0 10212.66 11283.59 1050.46 o -1 7 0 4496.86 5113.16 983.57 o 0 7 0 18659.40 17909.56 817.39 o 1 7 0 194.09 423.64 604.93 o 2 7 0 1545.53 1547.63 556.27 o 3 7 0 31794.86 31631.35 659.42 o 4 7 0 16259.97 15822.69 783.30 o 5 7 0 10.54 534.58 809.09 o 6 7 0 283.91 171.91 941.48 o 7 7 0 750.86 1111.67 868.69 o 8 7 0 54.65 1230.12 1081.57 o -6 8 0 8211.00 9161.58 1719.02 o -5 8 0 12.09 328.76 944.42 o -4 8 0 222.11 414.18 910.78 o -3 8 0 26442.37 27067.99 1068.59 o -2 8 0 8240.84 8633.80 978.89 o -1 8 0 20604.80 21099.22 953.52 o 0 8 0 218.08 236.01 646.74 o 1 8 0 1427.61 1295.83 584.35 o 2 8 0 3207.17 3097.80 622.67 o 3 8 0 432.82 411.25 547.18 o 4 8 0 1929.09 1129.97 935.15 o 5 8 0 28467.11 28807.42 923.06 o 6 8 0 811.86 2457.98 1134.08 o 7 8 0 13311.93 13356.36 893.92 o 8 8 0 1504.20 2114.48 1161.11 o -8 9 0 1378.75 1937.52 2643.40 o -5 9 0 7894.77 8365.05 986.90 o -4 9 0 16589.57 17212.26 1020.42 o -3 9 0 16969.95 16732.14 1095.52 o -2 9 0 4559.36 4404.33 939.81 o -1 9 0 0.31 372.72 822.94 o 0 9 0 440.05 608.25 659.30 o 1 9 0 15295.77 15600.93 631.97 o 2 9 0 456.98 540.21 829.82 o 3 9 0 130499.14 126875.84 2852.55 o 4 9 0 14.84 107.04 836.89 o 5 9 0 1848.73 2673.46 969.07 o 6 9 0 2795.32 2995.84 1227.56 o 7 9 0 365.87 1046.25 1299.30 o 8 9 0 1791.06 1058.18 1311.68 o -8 10 0 5618.38 5641.36 2774.36 o -7 10 0 10436.75 12053.27 2096.01 o -6 10 0 4052.55 3626.29 1418.35 o -5 10 0 1304.44 1878.55 1050.12 o -4 10 0 45544.41 47452.49 2583.55 o -3 10 0 18105.03 19191.86 1072.55 o -2 10 0 7873.92 7056.81 957.32 o -1 10 0 16270.43 17579.89 891.68 o 0 10 0 8201.03 8423.29 685.27 o 1 10 0 32985.65 32496.89 717.75 o 2 10 0 1766.43 1611.92 627.59 o 3 10 0 50.77 243.29 608.98 o 4 10 0 12811.20 12811.68 954.63 o 5 10 0 8415.01 8321.71 996.26 o 6 10 0 522.08 1683.85 1279.92 o 7 10 0 72.22 948.82 1377.00 o -8 11 0 11349.13 6034.27 3141.73 o -7 11 0 676.57 2214.43 2326.37 o -6 11 0 7033.35 7723.40 1273.68 o -5 11 0 1043.26 2248.60 1129.38 o -4 11 0 16.00 440.67 1131.86 o -3 11 0 4749.30 5564.79 1067.13 o -2 11 0 27982.06 26600.32 1015.25 o -1 11 0 143.60 942.29 816.70 o 0 11 0 6049.61 7082.81 627.53 o 1 11 0 1680.26 2174.05 629.00 o 2 11 0 9069.30 9074.95 748.45 o 3 11 0 4226.80 4883.36 688.95 o 4 11 0 49.49 1226.16 1070.45 o 5 11 0 1701.63 1752.89 1163.72 o 6 11 0 10046.46 11108.56 1445.97 o 7 11 0 1778.93 2814.19 1665.15 o -7 12 0 2662.38 3862.37 2445.03 o -6 12 0 155.67 866.80 1319.24 o -5 12 0 24040.43 24084.17 1276.99 o -4 12 0 903.71 1791.69 1193.03 o -3 12 0 20177.45 19554.88 1092.28 o -2 12 0 12866.92 12915.94 1263.83 o -1 12 0 4010.63 4102.02 767.25 o 0 12 0 509.24 253.23 626.54 o 1 12 0 944.45 1734.67 698.70 o 2 12 0 21141.11 20472.99 735.12 o 3 12 0 633.96 1550.80 722.65 o 4 12 0 32774.47 31978.62 1273.42 o 5 12 0 18.60 1060.71 1128.83 o 6 12 0 3326.92 4871.89 1369.00 o 7 12 0 604.92 910.07 1625.47 o -7 13 0 2156.76 1339.13 2425.04 o -6 13 0 13474.09 12849.09 1407.73 o -5 13 0 2408.13 1861.21 1302.61 o -4 13 0 176.63 -90.84 1249.81 o -3 13 0 39967.49 39186.42 1355.78 o -2 13 0 6583.05 7486.62 912.34 o -1 13 0 10026.86 9663.82 758.11 o 0 13 0 10252.75 10570.66 747.56 o 1 13 0 4567.34 5118.38 683.92 o 2 13 0 27529.83 28870.29 846.79 o 3 13 0 2652.68 2793.65 749.15 o 4 13 0 177.89 1192.16 1119.17 o 5 13 0 6353.08 6712.12 1243.89 o 6 13 0 3800.14 3703.20 1452.04 o -7 14 0 11733.61 11557.28 2585.12 o -6 14 0 2927.85 3267.42 1602.52 o -5 14 0 3391.40 3834.75 1398.42 o -4 14 0 393.95 1496.38 1202.55 o -3 14 0 42.97 753.59 1025.36 o -2 14 0 4754.85 4295.80 897.65 o -1 14 0 16564.78 17396.57 751.76 o 0 14 0 1123.94 1276.80 789.71 o 1 14 0 506.86 1165.22 768.53 o 2 14 0 4396.53 4736.33 845.51 o 3 14 0 5752.91 6066.60 820.85 o 4 14 0 3432.27 6173.40 1247.35 o 5 14 0 240.75 768.84 1333.30 o 6 14 0 2300.11 1801.81 1641.11 o -6 15 0 2668.69 3558.42 1672.25 o -5 15 0 30.61 831.07 1510.41 o -4 15 0 15577.62 14614.17 1357.35 o -3 15 0 47.88 670.40 1068.72 o -2 15 0 14476.09 13579.66 819.96 o -1 15 0 8654.49 8677.83 843.56 o 0 15 0 70.15 487.52 819.54 o 1 15 0 26.91 954.24 831.85 o 2 15 0 1005.24 1814.10 881.70 o 3 15 0 10133.58 10735.16 1052.95 o 4 15 0 1639.44 2697.30 1343.78 o 5 15 0 10414.85 9603.65 1553.39 o -6 16 0 782.64 1844.53 1942.27 o -5 16 0 10250.01 8560.36 1575.14 o -4 16 0 306.67 1687.89 1341.09 o -3 16 0 1175.60 1266.54 1141.36 o -2 16 0 35125.57 33127.15 897.91 o -1 16 0 1003.25 1385.33 816.26 o 0 16 0 10158.36 11311.17 941.57 o 1 16 0 10015.06 10784.52 912.97 o 2 16 0 5879.28 5161.51 956.50 o 3 16 0 10128.66 10344.91 1006.93 o 4 16 0 1692.78 3315.64 1465.50 o 5 16 0 728.26 880.91 1820.22 o -5 17 0 4578.93 3121.84 1774.77 o -4 17 0 546.35 1047.32 1318.88 o -3 17 0 1028.13 2058.70 938.42 o -2 17 0 806.06 1157.36 920.73 o -1 17 0 2066.19 3127.10 921.31 o 0 17 0 7052.62 6897.99 976.48 o 1 17 0 1601.05 1563.44 944.05 o 2 17 0 819.77 1991.33 997.82 o 3 17 0 3861.83 4527.06 1060.99 o 4 17 0 4456.35 4459.48 1847.15 o -5 18 0 499.86 2659.28 1369.38 o -4 18 0 60.76 529.00 1158.82 o -3 18 0 6089.54 5517.05 1011.71 o -2 18 0 723.75 1326.66 945.30 o -1 18 0 7803.37 6483.34 1029.31 o 0 18 0 4752.86 4395.14 1069.99 o 1 18 0 395.94 420.24 1033.99 o 2 18 0 1.49 56.37 1125.03 o 3 18 0 1285.74 1260.76 1253.29 o 4 18 0 4856.12 3470.49 1881.48 o -4 19 0 6015.93 4345.29 1222.04 o -3 19 0 16.37 418.97 1074.72 o -2 19 0 1622.23 1868.34 1071.76 o -1 19 0 16527.56 16032.39 1086.25 o 0 19 0 84.95 501.50 1158.07 o 1 19 0 5807.58 6362.40 1267.18 o 2 19 0 11126.53 7603.50 1436.46 o 3 19 0 3808.82 4131.82 1973.33 o -3 20 0 348.65 1065.45 1250.92 o -2 20 0 1995.41 2330.67 1170.43 o -1 20 0 2682.97 2681.39 1220.94 o 0 20 0 1126.66 2142.28 1274.64 o 1 20 0 1548.85 1108.47 954.66 o 2 20 0 1361.06 1840.11 2010.49 o -2 -20 1 50.63 1367.38 1463.47 o -1 -20 1 3869.87 3621.38 1262.83 o 0 -20 1 218.07 837.10 1146.83 o 1 -20 1 6240.23 5155.17 1211.25 o 2 -20 1 3514.62 3193.63 1178.22 o 3 -20 1 4161.37 1603.39 1235.67 o -3 -19 1 2618.02 3087.26 1368.18 o -2 -19 1 564.26 81.14 1226.08 o -1 -19 1 17759.56 16630.38 1245.69 o 0 -19 1 517.89 709.77 1022.42 o 1 -19 1 786.54 1277.30 993.37 o 2 -19 1 2816.21 2046.74 1010.18 o 3 -19 1 40.62 1192.53 1092.42 o 4 -19 1 11225.87 7377.63 1249.17 o -4 -18 1 7.17 -291.94 1863.53 o -3 -18 1 7538.58 7134.80 1237.22 o -2 -18 1 3084.24 3195.92 1157.60 o -1 -18 1 3842.14 3966.54 1091.48 o 0 -18 1 296.70 928.76 999.24 o 1 -18 1 1221.56 610.01 999.96 o 2 -18 1 226.05 669.13 977.83 o 3 -18 1 179.16 424.61 999.79 o 4 -18 1 2577.51 3231.43 1397.37 o 5 -18 1 1357.22 1973.65 1757.81 o -4 -17 1 1124.90 3894.13 1606.33 o -3 -17 1 374.23 1393.15 1184.58 o -2 -17 1 721.52 822.96 1007.23 o -1 -17 1 1447.59 1365.35 917.13 o 0 -17 1 2335.09 2361.90 978.65 o 1 -17 1 448.40 1079.69 862.30 o 2 -17 1 4160.12 3923.59 904.06 o 3 -17 1 3649.67 4359.12 1190.52 o 4 -17 1 7482.52 6183.26 1390.25 o 5 -17 1 114.98 665.67 1672.15 o -5 -16 1 2676.67 3555.44 1699.79 o -4 -16 1 1720.40 3534.78 1670.01 o -3 -16 1 12539.79 14221.31 1525.73 o -2 -16 1 8136.40 8863.78 931.70 o -1 -16 1 22.21 1240.86 895.01 o 0 -16 1 44603.72 42824.99 991.33 o 1 -16 1 433.37 1116.76 838.26 o 2 -16 1 147.60 940.34 850.06 o 3 -16 1 10389.27 9531.78 1115.44 o 4 -16 1 98.64 198.80 1442.70 o 5 -16 1 10038.73 9455.36 1646.34 o 6 -16 1 4430.51 4790.16 1944.58 o -6 -15 1 7542.12 4874.20 1810.14 o -5 -15 1 4051.85 4259.12 1729.96 o -4 -15 1 3191.15 886.67 1368.98 o -3 -15 1 113.76 907.93 987.45 o -2 -15 1 8104.84 8813.18 973.35 o -1 -15 1 3856.43 4172.62 799.29 o 0 -15 1 7598.79 7850.95 804.95 o 1 -15 1 378.50 395.82 750.11 o 2 -15 1 6811.22 7217.66 992.08 o 3 -15 1 1458.98 1457.36 1054.19 o 4 -15 1 12.34 -612.35 1226.71 o 5 -15 1 3941.87 4102.19 1550.40 o 6 -15 1 1944.60 2780.65 1619.36 o -6 -14 1 822.15 1484.46 1795.96 o 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