#------------------------------------------------------------------------------ #$Date: 2016-04-03 00:12:02 +0300 (Sun, 03 Apr 2016) $ #$Revision: 180980 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/60/2206023.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_2206023_Fobs loop_ _publ_author_name 'H\"oss, Patrick' 'Starkulla, Gundula' 'Schleid, Thomas' _publ_section_title ; Lutetium(III) oxotellurate(IV), Lu~2~Te~4~O~11~ ; _journal_issue 6 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i113 _journal_page_last i115 _journal_volume 61 _journal_year 2005 _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90.000 _cell_angle_beta 106.202 _cell_angle_gamma 90.000 _cell_length_a 12.2953 _cell_length_b 5.0596 _cell_length_c 15.9134 _exptl_crystal_F_000 1752.00 _reflns_d_resolution_high 0.7676 _cod_data_source_file mg6036Isup2.hkl _cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Lu2 Te4 O11 (CCDPH13 in C2/c)' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1177.29 _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+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' '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 1508.24 1738.24 141.69 o 4 0 0 1139371.63 1096629.50 14398.87 o 6 0 0 8945.78 10307.12 860.17 o 8 0 0 744140.00 730735.44 11237.67 o 10 0 0 10888.60 10196.56 1158.58 o 12 0 0 330174.97 348651.50 9446.72 o 14 0 0 10256.87 8202.22 1395.97 o 1 1 0 4546.94 4098.29 353.10 o 3 1 0 4191.87 4404.27 296.53 o 5 1 0 69.16 396.92 234.48 o 7 1 0 1516.68 1619.91 365.45 o 9 1 0 7305.48 7690.88 635.80 o 11 1 0 2133.73 2249.44 378.87 o 13 1 0 4348.79 3157.49 971.65 o 15 1 0 534.40 1376.69 1319.97 o 0 2 0 876063.88 853132.75 22410.78 o 2 2 0 5880.51 5748.41 418.88 o 4 2 0 966871.94 957996.50 13167.14 o 6 2 0 7029.09 7264.51 617.38 o 8 2 0 527572.75 518201.50 8172.33 o 10 2 0 13902.87 13471.26 863.63 o 12 2 0 273053.63 284739.63 4874.41 o 14 2 0 11317.72 10461.90 1884.31 o 1 3 0 29320.96 29223.24 1356.08 o 3 3 0 37657.80 36738.74 1278.91 o 5 3 0 35759.56 36291.75 1148.83 o 7 3 0 27124.84 27907.19 1183.14 o 9 3 0 14904.48 16227.17 1959.57 o 11 3 0 13519.77 12252.62 1258.55 o 13 3 0 10168.63 10069.53 1628.38 o 0 4 0 411661.97 452387.63 14731.90 o 2 4 0 142.49 737.46 482.57 o 4 4 0 392804.66 374156.75 9703.86 o 6 4 0 3948.99 4442.47 574.13 o 8 4 0 255761.72 258807.56 5134.90 o 10 4 0 6992.89 6308.52 926.89 o 12 4 0 148331.84 141936.08 4676.94 o 1 5 0 41743.01 39386.93 2251.91 o 3 5 0 39755.59 42171.12 1662.89 o 5 5 0 38781.65 37217.48 1769.00 o 7 5 0 23125.53 22214.18 1397.56 o 9 5 0 21638.89 17958.10 2363.77 o 0 6 0 161577.06 161602.66 7561.26 o 2 6 0 385.36 1518.80 930.91 o 4 6 0 115312.05 110778.83 4266.06 o 6 6 0 2090.89 2235.03 1555.44 o -15 1 1 16972.31 17384.49 1829.06 o -13 1 1 697.69 1936.80 868.62 o -11 1 1 31689.78 30918.08 1447.08 o -9 1 1 82.70 821.74 394.82 o -7 1 1 30119.81 31777.72 791.62 o -5 1 1 1291.94 1123.41 304.51 o -3 1 1 29898.18 27967.23 1323.83 o -1 1 1 5706.86 5596.58 210.48 o 1 1 1 6301.90 6072.28 292.65 o 3 1 1 1382.34 1203.90 229.29 o 5 1 1 12644.80 13669.87 591.23 o 7 1 1 12996.72 13560.84 855.15 o 9 1 1 1262.99 1471.55 427.90 o 11 1 1 8573.26 9331.98 871.68 o 13 1 1 1226.71 1394.88 950.61 o -14 2 1 165.35 1309.26 1098.79 o -12 2 1 333.02 1414.33 698.76 o -10 2 1 8276.80 7639.06 662.39 o -8 2 1 595.67 709.76 390.42 o -6 2 1 5500.62 6090.86 589.86 o -4 2 1 138.81 300.72 333.18 o -2 2 1 10458.43 9549.40 519.15 o 0 2 1 7536.05 8187.93 508.87 o 2 2 1 3199.85 3231.61 327.69 o 4 2 1 736.16 452.68 373.70 o 6 2 1 13815.82 12783.19 615.01 o 8 2 1 2766.38 2453.12 607.36 o 10 2 1 5499.34 4571.90 675.10 o 12 2 1 0.69 867.31 577.24 o 14 2 1 2281.85 2219.97 1672.65 o -13 3 1 2712.05 2680.27 1145.13 o -11 3 1 17120.70 18536.76 1102.31 o -9 3 1 26.96 577.84 444.18 o -7 3 1 27781.30 29582.86 1197.49 o -5 3 1 172.50 713.29 459.48 o -3 3 1 23094.28 20561.85 927.53 o -1 3 1 4988.22 4987.39 429.02 o 1 3 1 15922.86 17957.29 921.64 o 3 3 1 25045.74 22510.45 1111.22 o 5 3 1 666.34 775.47 528.26 o 7 3 1 12378.98 11813.95 767.73 o 9 3 1 2151.16 2615.74 962.46 o 11 3 1 7650.52 10406.85 2453.69 o 13 3 1 944.74 3125.67 1596.22 o -12 4 1 44.79 1023.29 1255.24 o -10 4 1 1928.39 2119.26 633.06 o -8 4 1 640.83 630.57 549.05 o -6 4 1 6023.14 4707.85 623.51 o -4 4 1 576.64 921.20 522.22 o -2 4 1 12547.45 11520.29 953.63 o 0 4 1 914.35 758.78 616.02 o 2 4 1 20665.66 23190.90 1399.18 o 4 4 1 2095.27 1888.98 647.10 o 6 4 1 13376.09 13108.42 1368.80 o 8 4 1 311.66 620.92 485.85 o 10 4 1 11450.21 10228.46 1048.72 o -9 5 1 30.10 316.09 932.92 o -7 5 1 23759.64 23929.51 1535.26 o -5 5 1 3194.56 3075.97 745.79 o -3 5 1 22940.38 23147.73 1572.95 o -1 5 1 5842.75 6397.60 987.18 o 1 5 1 17929.29 18455.29 881.84 o 3 5 1 7938.60 7850.37 873.49 o 5 5 1 9798.10 10610.11 1056.43 o 7 5 1 6053.04 5577.95 1194.04 o 9 5 1 620.10 1742.99 1336.87 o -6 6 1 9617.52 7111.63 2188.53 o -4 6 1 535.43 680.38 1382.70 o -2 6 1 14009.88 14118.47 1566.47 o 0 6 1 1642.28 1659.72 1138.10 o 2 6 1 12446.82 12333.37 1691.96 o 4 6 1 19.32 1717.19 1053.90 o 6 6 1 13304.35 7345.15 3794.01 o -14 0 2 5023.49 8087.17 1744.87 o -12 0 2 190.70 1009.90 1037.10 o -10 0 2 22079.15 20726.97 1328.44 o -8 0 2 2242.48 3287.86 969.81 o -6 0 2 37097.63 34979.84 1093.95 o -4 0 2 6004.79 5614.45 471.62 o -2 0 2 14805.67 15646.63 471.98 o 0 0 2 51094.48 49428.04 1894.62 o 2 0 2 6483.75 6533.15 355.35 o 4 0 2 38673.76 36868.09 1030.23 o 6 0 2 158.14 96.03 360.95 o 8 0 2 11239.25 11000.96 751.48 o 10 0 2 157.58 772.95 602.74 o 12 0 2 33610.62 35072.83 2054.37 o 14 0 2 3272.90 2927.85 1494.99 o -15 1 2 236.13 14.05 1199.71 o -13 1 2 2992.67 3094.18 969.63 o -11 1 2 3.56 681.27 595.40 o -9 1 2 200.63 605.45 370.30 o -7 1 2 37.10 277.31 247.21 o -5 1 2 43960.77 47363.77 908.13 o -3 1 2 172.44 309.24 207.51 o -1 1 2 451.21 629.25 143.95 o 1 1 2 134.62 395.50 134.27 o 3 1 2 330.83 430.80 234.03 o 5 1 2 370.43 751.71 226.34 o 7 1 2 89.67 604.51 379.83 o 9 1 2 126.63 371.89 422.40 o 11 1 2 514.07 1316.94 548.36 o 13 1 2 787.89 1938.07 723.51 o -14 2 2 11305.31 13284.60 1554.84 o -12 2 2 305.00 1174.85 805.18 o -10 2 2 7499.98 7653.70 620.51 o -8 2 2 1028.24 1337.73 414.68 o -6 2 2 9891.31 9203.18 562.11 o -4 2 2 20195.96 18532.14 852.82 o -2 2 2 7430.52 7755.27 510.48 o 0 2 2 19437.44 20812.93 672.23 o 2 2 2 2221.40 2434.68 330.57 o 4 2 2 46264.48 45940.23 1303.56 o 6 2 2 56.47 177.47 339.36 o 8 2 2 50806.58 50598.91 1456.63 o 10 2 2 237.41 542.71 437.27 o 12 2 2 22299.06 21208.70 1036.99 o 14 2 2 1071.60 2133.95 1655.67 o -13 3 2 4215.24 4440.38 1002.21 o -11 3 2 1164.02 1388.82 516.31 o -9 3 2 8929.10 8615.24 690.28 o -7 3 2 3.19 957.83 533.07 o -5 3 2 8286.20 9322.94 691.75 o -3 3 2 4786.35 4700.30 518.43 o -1 3 2 9954.08 9525.56 525.30 o 1 3 2 1872.14 1732.73 368.13 o 3 3 2 9312.72 9431.29 628.05 o 5 3 2 1324.38 653.00 631.30 o 7 3 2 3322.99 3228.98 533.33 o 9 3 2 5.85 512.45 550.27 o 11 3 2 1702.07 1151.61 924.46 o 13 3 2 227.97 401.54 1438.53 o -12 4 2 1200.53 2748.56 1192.44 o -10 4 2 10115.29 11196.62 868.99 o -8 4 2 5134.55 5086.66 854.46 o -6 4 2 9047.97 8060.02 693.72 o -4 4 2 9887.09 9281.61 1118.41 o -2 4 2 7410.39 8363.67 1357.11 o 0 4 2 22551.29 23043.59 1011.86 o 2 4 2 4688.66 4966.50 864.31 o 4 4 2 28656.65 30981.62 1269.45 o 6 4 2 1514.35 2038.62 733.44 o 8 4 2 32473.60 32196.78 1271.78 o 10 4 2 840.63 815.75 210.05 o -9 5 2 12581.61 12963.83 994.01 o -7 5 2 2775.29 3394.29 898.11 o -5 5 2 6140.22 8780.51 1102.70 o -3 5 2 700.75 958.17 500.91 o -1 5 2 11768.10 10709.30 1193.95 o 1 5 2 471.21 1619.55 948.97 o 3 5 2 8699.78 7572.24 947.37 o 5 5 2 1004.82 1786.92 1275.54 o 7 5 2 5794.55 4509.49 899.47 o 9 5 2 248.41 2449.93 1678.37 o -6 6 2 8521.96 7601.09 1694.51 o -4 6 2 10278.51 10856.91 2116.49 o -2 6 2 8419.58 10790.42 1814.47 o 0 6 2 21390.54 22316.88 2448.63 o 2 6 2 2583.62 2378.25 1422.57 o 4 6 2 19000.42 18234.75 1598.81 o -15 1 3 219374.03 222680.30 6123.00 o -13 1 3 3668.76 3792.28 1064.41 o -11 1 3 436166.81 460484.22 7296.61 o -9 1 3 1077.06 1088.85 202.01 o -7 1 3 836702.88 833432.44 8547.93 o -5 1 3 370.10 658.41 156.42 o -3 1 3 1192719.63 1195184.38 14422.61 o -1 1 3 6805.73 6928.44 312.30 o 1 1 3 1386003.38 1362694.38 14008.62 o 3 1 3 16460.14 16499.51 581.13 o 5 1 3 882769.06 854664.81 14074.03 o 7 1 3 32057.46 30005.28 941.18 o 9 1 3 459705.31 466869.28 7831.98 o 11 1 3 30479.56 29617.20 1235.17 o 13 1 3 200334.25 201299.08 4608.99 o -14 2 3 4707.63 2370.04 1293.96 o -12 2 3 5246.62 6352.37 913.82 o -10 2 3 11465.66 11030.68 696.59 o -8 2 3 8096.96 7364.02 669.58 o -6 2 3 16903.99 18448.51 744.75 o -4 2 3 35484.54 33499.91 1452.76 o -2 2 3 63720.03 60707.10 1216.93 o 0 2 3 264.25 674.22 274.46 o 2 2 3 31771.16 31175.55 796.81 o 4 2 3 26489.15 26375.04 656.65 o 6 2 3 14860.73 15133.80 811.77 o 8 2 3 7478.39 7003.83 853.90 o 10 2 3 8185.60 8117.11 1017.58 o 12 2 3 5814.78 5885.95 1086.76 o -13 3 3 3893.07 4797.67 1015.77 o -11 3 3 264561.28 265683.94 4450.34 o -9 3 3 2990.82 2779.91 441.14 o -7 3 3 461779.38 450443.47 6229.64 o -5 3 3 5164.95 4747.43 667.60 o -3 3 3 741104.31 763862.50 12269.66 o -1 3 3 2822.78 3211.68 521.41 o 1 3 3 678065.06 644662.75 8927.37 o 3 3 3 25303.36 25187.73 1338.55 o 5 3 3 479632.47 470115.66 7390.17 o 7 3 3 15037.84 13521.66 815.94 o 9 3 3 290243.28 302426.56 8841.83 o 11 3 3 13966.70 13048.53 1338.91 o -12 4 3 16009.66 14476.27 1501.77 o -10 4 3 22814.84 21230.10 1226.65 o -8 4 3 23853.46 22770.05 1092.68 o -6 4 3 34978.54 34784.29 1395.41 o -4 4 3 23789.26 24065.22 1724.69 o -2 4 3 36969.47 37526.81 1331.30 o 0 4 3 52382.00 54492.02 1660.96 o 2 4 3 31565.97 29990.99 1443.94 o 4 4 3 15219.87 14257.56 1134.09 o 6 4 3 36994.45 38905.13 1161.77 o 8 4 3 14873.84 12421.86 2003.25 o 10 4 3 19677.08 17480.20 1723.60 o -9 5 3 837.42 1108.95 893.83 o -7 5 3 190681.31 194542.73 4308.60 o -5 5 3 2454.80 1401.75 780.97 o -3 5 3 220247.03 226539.06 6769.63 o -1 5 3 3552.57 4124.94 1160.92 o 1 5 3 225552.84 211562.11 5668.85 o 3 5 3 2586.66 2676.31 619.85 o 5 5 3 180876.63 181818.17 5216.22 o 7 5 3 9560.08 8035.04 937.62 o 9 5 3 108962.72 109369.62 5123.99 o -6 6 3 32194.52 28149.32 2914.19 o -4 6 3 22372.27 24779.25 1381.29 o -2 6 3 33206.49 35784.50 2791.56 o 0 6 3 23577.84 24920.30 1956.26 o 2 6 3 46290.77 42358.64 2618.17 o 4 6 3 27823.36 27334.67 1892.48 o -14 0 4 9317.31 8778.86 1685.68 o -12 0 4 2945.47 2217.66 1009.40 o -10 0 4 44149.89 46626.02 1906.74 o -8 0 4 629.76 538.29 500.65 o -6 0 4 22398.98 20380.10 836.92 o -4 0 4 290.97 507.54 270.61 o -2 0 4 4527.00 3624.81 432.59 o 0 0 4 351.87 718.82 369.65 o 2 0 4 9123.76 10390.99 504.73 o 4 0 4 19244.24 17364.50 837.80 o 6 0 4 251.20 600.94 564.58 o 8 0 4 1067.98 1501.21 282.71 o 10 0 4 3516.61 3157.90 699.99 o 12 0 4 8620.08 8115.04 1521.34 o 14 0 4 2931.61 0.49 2550.56 o -15 1 4 88.46 1496.11 1229.15 o -13 1 4 853.43 1035.85 760.33 o -11 1 4 1094.55 603.82 508.61 o -9 1 4 121.88 714.95 342.07 o -7 1 4 286.77 312.69 250.94 o -5 1 4 957.65 1211.56 254.73 o -3 1 4 162.33 537.77 220.81 o -1 1 4 11048.44 11515.34 354.12 o 1 1 4 1582.51 1575.07 291.02 o 3 1 4 5958.61 6654.51 460.44 o 5 1 4 274.82 816.25 431.67 o 7 1 4 3845.77 3099.68 644.50 o 9 1 4 618.75 454.25 425.66 o 11 1 4 2199.55 2442.48 618.45 o 13 1 4 120.30 1009.62 1117.50 o -14 2 4 20838.65 19926.87 1611.26 o -12 2 4 672.46 738.82 668.14 o -10 2 4 15787.05 16009.69 1071.85 o -8 2 4 357.97 578.44 354.73 o -6 2 4 20772.15 18463.57 930.65 o -4 2 4 2202.43 1993.72 402.23 o -2 2 4 21216.88 20132.38 580.64 o 0 2 4 13504.29 13272.28 638.21 o 2 2 4 11654.92 10798.41 529.26 o 4 2 4 1684.14 1470.36 336.98 o 6 2 4 259.35 959.30 473.83 o 8 2 4 13193.10 14209.31 1116.11 o 10 2 4 585.57 730.36 792.31 o 12 2 4 2657.32 3893.07 1127.22 o -13 3 4 1871.62 1893.21 957.74 o -11 3 4 1.05 235.42 563.09 o -9 3 4 9796.08 8883.00 673.65 o -7 3 4 0.89 279.04 419.48 o -5 3 4 14293.66 14145.72 1311.13 o -3 3 4 442.67 504.14 324.42 o -1 3 4 18774.90 20117.99 834.96 o 1 3 4 298.58 221.41 358.21 o 3 3 4 18209.63 19797.50 874.11 o 5 3 4 1093.91 1181.11 563.14 o 7 3 4 13822.93 13988.02 1020.67 o 9 3 4 317.52 2019.15 1043.48 o 11 3 4 7092.77 5919.05 1460.92 o -12 4 4 146.63 732.41 929.95 o -10 4 4 15329.67 16457.15 1062.44 o -8 4 4 268.22 718.49 557.05 o -6 4 4 19982.77 19504.08 953.01 o -4 4 4 1625.84 1250.80 576.45 o -2 4 4 14145.87 18805.03 2787.14 o 0 4 4 5280.35 5005.41 721.30 o 2 4 4 8319.01 9196.16 914.69 o 4 4 4 12132.44 12385.75 932.02 o 6 4 4 1910.67 1878.00 687.16 o 8 4 4 9198.83 13277.95 2931.23 o 10 4 4 218.74 1346.78 1187.66 o -9 5 4 8659.23 9495.22 1228.73 o -7 5 4 0.98 663.67 792.96 o -5 5 4 12296.24 14085.73 2361.39 o -3 5 4 172.03 518.43 772.44 o -1 5 4 17129.77 15471.32 1010.24 o 1 5 4 1318.61 1811.18 411.63 o 3 5 4 28033.58 29577.36 2275.64 o 5 5 4 17.16 1242.55 1106.53 o 7 5 4 15192.46 17399.03 1966.17 o -6 6 4 15476.90 17023.71 3024.36 o -4 6 4 4790.99 4547.03 1667.14 o -2 6 4 10764.89 12075.56 1572.97 o 0 6 4 4511.23 2339.40 1238.33 o 2 6 4 6306.35 4808.70 1549.76 o 4 6 4 11214.11 12289.11 2071.98 o -15 1 5 293.04 563.60 1282.08 o -13 1 5 13362.98 12427.23 1029.47 o -11 1 5 1517.60 1471.45 585.64 o -9 1 5 7469.46 7541.46 553.98 o -7 1 5 3864.40 3727.76 391.81 o -5 1 5 28867.20 30648.32 1078.72 o -3 1 5 23262.54 21850.17 646.86 o -1 1 5 4105.30 4488.59 362.67 o 1 1 5 49611.58 49228.48 1042.25 o 3 1 5 997.64 1004.52 340.93 o 5 1 5 58195.41 54375.24 1244.74 o 7 1 5 609.49 1062.27 527.63 o 9 1 5 38290.77 39130.69 1562.01 o 11 1 5 1601.32 2006.37 769.18 o 13 1 5 20714.22 21616.23 1228.97 o -14 2 5 1069.62 979.09 1067.70 o -12 2 5 2995.00 3592.49 747.53 o -10 2 5 3.17 718.02 435.19 o -8 2 5 333.68 916.49 370.59 o -6 2 5 603.12 912.95 434.66 o -4 2 5 2137.13 2119.17 329.15 o -2 2 5 109.92 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