#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/17/2211740.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_2211740_Fobs loop_ _publ_author_name 'Ben Zarkouna, Emna' 'Horchani-Naifer, Karima' 'F\'erid, Mokhtar' 'Driss, Ahmed' _publ_section_title ; LiTb(PO~3~)~4~ ; _journal_coeditor_code BR2021 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i1 _journal_page_last i2 _journal_volume 63 _journal_year 2007 _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 126.150 _cell_angle_gamma 90.000 _cell_length_a 16.3580 _cell_length_b 7.0500 _cell_length_c 9.6290 _exptl_crystal_F_000 896.00 _reflns_d_resolution_high 0.7843 _[local]_cod_data_source_file br2021Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' emna17b in C 2/c' _shelx_refln_list_code 4 _shelx_f_calc_maximum 430.11 _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 43757.52 29700.75 1078.79 o 4 0 0 1211.63 1746.96 54.39 o 6 0 0 49112.22 44906.48 386.74 o 8 0 0 85705.37 83458.70 434.85 o 10 0 0 328.15 418.47 18.90 o 12 0 0 18979.44 20464.81 248.55 o 14 0 0 50335.19 53387.63 1486.73 o 16 0 0 18146.53 19083.45 387.25 o 1 1 0 816.58 970.12 27.69 o 3 1 0 10433.13 10828.54 81.85 o 5 1 0 3069.28 3294.09 74.02 o 7 1 0 1596.78 1719.31 42.70 o 9 1 0 2655.13 2931.84 75.40 o 11 1 0 5732.73 6383.64 124.11 o 13 1 0 1216.21 1292.31 38.31 o 15 1 0 362.86 484.47 18.17 o 0 2 0 8085.66 7186.77 85.42 o 2 2 0 32192.67 30141.32 1156.49 o 4 2 0 28797.24 27740.77 854.11 o 6 2 0 40064.68 41048.34 918.02 o 8 2 0 24709.96 25603.67 311.06 o 10 2 0 33122.65 34065.30 305.70 o 12 2 0 12876.67 13889.99 208.50 o 14 2 0 3669.80 4035.64 288.26 o 16 2 0 3097.23 3216.87 103.78 o 1 3 0 62932.30 57725.60 303.45 o 3 3 0 7123.09 7635.63 127.94 o 5 3 0 11105.90 11775.72 165.67 o 7 3 0 34666.34 36134.27 315.08 o 9 3 0 6451.79 7092.64 141.81 o 11 3 0 1003.58 1106.48 39.29 o 13 3 0 21044.07 22044.96 285.94 o 15 3 0 19632.82 20548.28 293.56 o 0 4 0 113.24 222.67 12.95 o 2 4 0 14527.20 15623.16 418.81 o 4 4 0 12598.71 13558.53 196.88 o 6 4 0 54.95 94.65 28.83 o 8 4 0 584.48 706.11 58.37 o 10 4 0 10843.32 11714.72 275.45 o 12 4 0 648.60 718.70 30.26 o 14 4 0 292.99 324.14 23.91 o 1 5 0 10382.21 10651.21 152.39 o 3 5 0 19647.46 20532.33 276.66 o 5 5 0 40173.13 41522.66 477.62 o 7 5 0 28984.82 30330.88 644.30 o 9 5 0 15022.46 16144.28 243.44 o 11 5 0 13124.68 14088.40 236.28 o 13 5 0 13800.27 15644.43 260.90 o 0 6 0 531.82 500.60 25.22 o 2 6 0 1664.58 1835.97 63.87 o 4 6 0 167.43 196.49 26.61 o 6 6 0 4619.80 5157.82 148.26 o 8 6 0 37.87 68.17 42.43 o 10 6 0 63.82 -16.12 50.56 o 12 6 0 694.24 813.13 35.95 o 1 7 0 5778.34 5791.10 136.74 o 3 7 0 32948.79 33851.80 764.26 o 5 7 0 14267.16 16230.28 285.22 o 7 7 0 236.45 316.77 60.35 o 9 7 0 4626.51 5163.63 165.96 o 0 8 0 7688.20 7843.89 203.76 o 2 8 0 5285.36 5722.76 166.52 o 4 8 0 6058.54 6770.95 209.20 o 6 8 0 5342.29 6253.94 218.84 o -17 1 1 19417.17 19822.36 205.48 o -15 1 1 14494.93 15332.26 167.72 o -13 1 1 3485.23 3609.66 77.08 o -11 1 1 24554.08 25731.82 312.27 o -9 1 1 60532.93 54954.76 530.49 o -7 1 1 27593.79 26237.23 234.94 o -5 1 1 20927.38 20717.38 142.30 o -3 1 1 91179.93 97912.46 631.76 o -1 1 1 31612.34 32430.13 319.50 o 1 1 1 28635.36 28894.36 121.62 o 3 1 1 56490.73 53263.64 505.19 o 5 1 1 36968.86 35526.09 403.04 o 7 1 1 13150.69 12949.45 122.10 o 9 1 1 41846.71 43100.19 379.62 o 11 1 1 23263.71 24488.70 213.04 o 13 1 1 5231.89 5458.05 99.62 o 15 1 1 6994.60 7449.81 149.67 o -16 2 1 6993.43 7538.33 174.02 o -14 2 1 56.40 54.08 18.22 o -12 2 1 1847.24 2127.91 94.85 o -10 2 1 42594.87 42228.12 675.19 o -8 2 1 5452.19 5009.42 131.37 o -6 2 1 4513.10 5078.48 96.67 o -4 2 1 29847.06 30798.94 378.13 o -2 2 1 73636.98 75136.30 221.02 o 0 2 1 1870.75 2061.16 46.40 o 2 2 1 429.70 314.88 13.99 o 4 2 1 38492.12 37029.89 318.95 o 6 2 1 35932.77 35366.91 280.92 o 8 2 1 180.53 202.39 16.52 o 10 2 1 10098.20 10698.07 182.04 o 12 2 1 13723.59 14509.29 225.09 o 14 2 1 923.30 990.32 36.06 o -15 3 1 4948.60 5253.84 384.99 o -13 3 1 6430.59 6918.56 277.29 o -11 3 1 8597.72 9140.52 168.36 o -9 3 1 10881.12 11406.89 177.66 o -7 3 1 7243.25 7109.15 128.51 o -5 3 1 8746.85 8950.46 155.80 o -3 3 1 4514.70 3890.27 69.46 o -1 3 1 42343.79 41571.07 402.32 o 1 3 1 26485.15 27682.41 186.67 o 3 3 1 17534.50 18053.67 340.67 o 5 3 1 5390.83 5427.97 211.27 o 7 3 1 7400.77 7990.18 149.04 o 9 3 1 1519.39 1607.75 55.88 o 11 3 1 14450.14 15254.86 232.04 o 13 3 1 7855.45 8180.82 181.38 o -16 4 1 11254.67 12055.75 232.83 o -14 4 1 18170.13 19159.31 279.53 o -12 4 1 24006.07 24503.25 300.60 o -10 4 1 8690.42 9218.90 176.74 o -8 4 1 18281.81 18365.96 313.98 o -6 4 1 21429.11 20947.58 223.49 o -4 4 1 41218.37 41902.09 938.86 o -2 4 1 16892.44 16433.23 356.15 o 0 4 1 41444.07 38655.71 365.32 o 2 4 1 40729.34 40255.83 259.54 o 4 4 1 30403.72 30328.58 265.32 o 6 4 1 8162.69 8484.86 212.87 o 8 4 1 23134.24 23530.34 348.41 o 10 4 1 17318.14 18531.82 264.74 o 12 4 1 7388.48 7996.23 386.67 o 14 4 1 8680.92 8750.32 201.50 o -13 5 1 7631.93 7800.23 201.17 o -11 5 1 1978.84 2091.98 73.66 o -9 5 1 4947.09 5107.79 275.35 o -7 5 1 18355.63 17932.04 1018.08 o -5 5 1 3031.59 3227.60 170.73 o -3 5 1 17790.13 18976.10 186.11 o -1 5 1 125.59 111.40 27.56 o 1 5 1 22308.76 22489.36 200.48 o 3 5 1 4055.73 4294.22 119.93 o 5 5 1 4076.87 4207.71 183.06 o 7 5 1 8183.57 8481.68 180.20 o 9 5 1 3064.41 3363.62 108.30 o 11 5 1 4237.32 4742.42 216.03 o -12 6 1 11585.78 12387.90 239.44 o -10 6 1 17149.25 17931.51 306.85 o -8 6 1 12458.60 13118.52 236.41 o -6 6 1 12593.88 12673.56 580.68 o -4 6 1 28065.96 28028.63 277.90 o -2 6 1 29328.44 28427.62 413.62 o 0 6 1 11270.58 11152.46 143.36 o 2 6 1 16322.50 16874.80 351.59 o 4 6 1 27571.30 26725.06 390.97 o 6 6 1 18175.76 18419.26 279.62 o 8 6 1 7753.34 8408.89 193.34 o 10 6 1 10124.71 10424.55 570.65 o -11 7 1 1557.40 1730.07 62.98 o -9 7 1 627.42 973.92 214.80 o -7 7 1 5264.85 5364.69 180.87 o -5 7 1 6018.88 6120.37 154.11 o -3 7 1 498.79 543.90 42.31 o -1 7 1 3294.00 3277.78 84.29 o 1 7 1 10572.53 10992.15 432.49 o 3 7 1 4928.25 5138.71 158.33 o 5 7 1 414.25 442.21 39.34 o 7 7 1 2842.89 3153.65 106.40 o 9 7 1 4466.95 4634.50 150.50 o -8 8 1 4579.68 4888.07 160.60 o -6 8 1 19195.00 19105.36 622.11 o -4 8 1 2763.61 3121.48 109.81 o -2 8 1 2321.90 2313.37 139.97 o 0 8 1 9640.82 9505.43 164.59 o 2 8 1 5933.88 5947.04 299.34 o 4 8 1 834.99 866.48 61.13 o 6 8 1 12075.78 12806.79 356.42 o -18 0 2 12535.62 13566.17 343.86 o -16 0 2 1267.51 1263.57 67.84 o -14 0 2 29176.69 30404.13 446.44 o -12 0 2 79891.59 72051.38 648.94 o -10 0 2 1277.15 1015.19 48.56 o -8 0 2 18873.50 19304.05 230.28 o -6 0 2 184991.06 204125.56 658.67 o -4 0 2 71050.20 79879.38 298.35 o -2 0 2 398.29 485.97 23.86 o 0 0 2 140933.59 143142.69 1528.01 o 2 0 2 135865.69 133108.31 509.73 o 4 0 2 6928.56 7137.70 138.86 o 6 0 2 8476.62 8695.16 188.85 o 8 0 2 49894.69 47644.52 523.07 o 10 0 2 28716.27 28672.13 439.26 o 12 0 2 9970.27 10175.17 282.56 o 14 0 2 16018.94 16522.07 376.79 o -17 1 2 1905.50 2224.50 142.83 o -15 1 2 3729.76 3952.89 118.92 o -13 1 2 6213.78 6156.58 606.81 o -11 1 2 2582.42 2578.76 82.01 o -9 1 2 8027.41 8592.08 210.09 o -7 1 2 3315.97 4516.09 71.95 o -5 1 2 231.00 380.38 13.47 o -3 1 2 1739.24 1796.94 63.02 o -1 1 2 33423.05 33957.13 269.72 o 1 1 2 2442.02 2608.26 43.99 o 3 1 2 17244.70 20318.74 627.08 o 5 1 2 4848.17 4937.92 158.87 o 7 1 2 3508.43 3314.89 91.60 o 9 1 2 2415.54 2631.31 91.92 o 11 1 2 360.03 473.46 46.72 o 13 1 2 4845.82 4820.43 138.99 o -18 2 2 9043.62 9631.62 285.40 o -16 2 2 17247.49 17319.36 368.99 o -14 2 2 14756.69 14752.02 317.06 o -12 2 2 6838.21 6743.88 202.38 o -10 2 2 26895.21 25803.72 350.77 o -8 2 2 43527.04 43426.53 377.20 o -6 2 2 22767.89 23505.75 226.75 o -4 2 2 4834.42 4179.54 79.72 o -2 2 2 38678.70 37137.79 216.07 o 0 2 2 60389.07 59134.03 299.94 o 2 2 2 31775.45 33724.49 267.35 o 4 2 2 22817.21 23010.14 266.61 o 6 2 2 32512.13 31710.96 377.93 o 8 2 2 14238.27 13559.02 286.19 o 10 2 2 4934.52 4967.43 186.22 o 12 2 2 11560.96 12043.85 304.58 o 14 2 2 10784.92 11018.62 312.84 o -17 3 2 825.56 741.70 45.76 o -15 3 2 2671.82 2518.59 129.31 o -13 3 2 26990.76 26504.87 432.93 o -11 3 2 13216.85 13087.77 286.39 o -9 3 2 1451.58 1313.63 62.08 o -7 3 2 27683.10 27954.60 300.52 o -5 3 2 68524.60 72678.91 421.47 o -3 3 2 21422.79 22297.69 198.24 o -1 3 2 5963.31 5422.54 96.80 o 1 3 2 27494.69 26298.23 242.03 o 3 3 2 16033.85 16750.38 227.43 o 5 3 2 4026.78 4134.31 134.55 o 7 3 2 19508.83 18245.82 329.78 o 9 3 2 23952.40 23914.82 412.00 o 11 3 2 4435.68 4748.09 196.60 o 13 3 2 5988.01 6353.39 232.53 o -16 4 2 5968.38 6200.57 239.45 o -14 4 2 139.54 225.55 30.73 o -12 4 2 1144.63 1238.88 66.87 o -10 4 2 9598.78 9392.37 243.18 o -8 4 2 13872.32 13887.91 254.75 o -6 4 2 2471.07 2367.63 92.80 o -4 4 2 8279.34 8894.67 151.75 o -2 4 2 12089.09 11884.04 161.75 o 0 4 2 31.34 76.19 9.64 o 2 4 2 1187.49 1294.48 56.41 o 4 4 2 5821.45 5930.63 164.64 o 6 4 2 632.26 667.97 34.32 o 8 4 2 3160.75 3032.58 137.94 o 10 4 2 11443.42 11386.98 313.20 o 12 4 2 1749.41 2065.23 106.05 o -15 5 2 10890.03 11651.32 331.61 o -13 5 2 14973.81 15083.70 360.01 o -11 5 2 19555.30 17784.67 375.50 o -9 5 2 12350.00 11826.59 280.70 o -7 5 2 27579.95 27696.63 367.89 o -5 5 2 17716.44 17863.25 259.98 o -3 5 2 21322.06 21018.07 251.11 o -1 5 2 21636.83 20395.70 242.47 o 1 5 2 30292.09 28920.40 323.30 o 3 5 2 10967.54 11503.56 233.49 o 5 5 2 27147.33 26669.47 403.42 o 7 5 2 22585.93 20561.88 403.10 o 9 5 2 12835.45 13351.08 339.81 o 11 5 2 4185.38 4264.51 203.84 o -14 6 2 365.54 429.11 38.17 o -12 6 2 16.40 0.00 51.11 o -10 6 2 82.41 146.87 23.28 o -8 6 2 2165.63 2312.09 110.66 o -6 6 2 8188.50 8551.78 215.65 o -4 6 2 483.06 520.00 27.29 o -2 6 2 620.03 616.13 31.15 o 0 6 2 1443.21 1414.26 68.00 o 2 6 2 98.83 82.67 37.34 o 4 6 2 646.78 673.46 35.70 o 6 6 2 4530.89 4353.62 187.78 o 8 6 2 5223.98 4669.43 217.54 o 10 6 2 6.02 27.42 47.53 o -11 7 2 7376.77 6933.19 275.89 o -9 7 2 23581.58 23011.48 469.66 o -7 7 2 3490.43 3709.34 170.80 o -5 7 2 5059.77 5320.39 179.84 o -3 7 2 23927.69 24068.96 338.45 o -1 7 2 24854.76 23818.76 330.53 o 1 7 2 727.58 671.27 34.05 o 3 7 2 7912.53 7935.33 237.47 o 5 7 2 18808.20 19354.41 413.15 o 7 7 2 8153.96 7636.69 288.47 o -8 8 2 4020.59 3978.21 174.82 o -6 8 2 4602.52 4825.43 200.04 o -4 8 2 7417.93 7593.64 225.43 o -2 8 2 3797.58 3575.12 140.02 o 0 8 2 6499.36 6412.60 195.43 o 2 8 2 15090.11 16741.32 356.10 o 4 8 2 7601.05 8121.52 266.78 o -19 1 3 5714.78 5773.11 182.38 o -17 1 3 17365.63 17103.68 280.67 o -15 1 3 28795.81 26293.00 477.91 o -13 1 3 5008.55 5108.89 118.97 o -11 1 3 16049.10 16003.30 176.86 o -9 1 3 47933.63 50094.11 1260.14 o -7 1 3 53465.24 58440.48 756.41 o -5 1 3 28230.78 28029.60 437.31 o -3 1 3 67577.41 68364.80 386.16 o -1 1 3 16132.44 14883.76 101.26 o 1 1 3 24686.09 24964.31 595.77 o 3 1 3 51241.21 51633.92 943.84 o 5 1 3 31448.05 32484.43 768.74 o 7 1 3 4046.39 3936.24 189.43 o 9 1 3 22601.16 20936.27 437.71 o 11 1 3 28334.08 28030.57 961.09 o 13 1 3 5433.38 5662.01 448.24 o -18 2 3 1368.38 1315.95 67.29 o -16 2 3 13481.85 13907.57 329.48 o -14 2 3 7266.54 6940.83 217.71 o -12 2 3 147.36 201.31 20.53 o -10 2 3 7769.14 7934.90 167.26 o -8 2 3 37677.72 39118.00 320.69 o -6 2 3 17346.21 18362.76 185.65 o -4 2 3 6275.40 6113.18 95.96 o -2 2 3 20067.32 18452.36 166.99 o 0 2 3 21523.00 21927.95 200.96 o 2 2 3 139.66 107.07 12.13 o 4 2 3 9399.05 9338.23 177.67 o 6 2 3 19093.76 19568.83 302.12 o 8 2 3 6743.54 5894.89 200.33 o 10 2 3 2569.18 2587.08 121.72 o 12 2 3 8456.65 8661.68 269.98 o -17 3 3 6741.12 6466.02 238.19 o -15 3 3 8651.20 8325.45 257.43 o -13 3 3 13580.45 13096.27 291.90 o -11 3 3 2376.62 2380.97 110.16 o -9 3 3 17270.98 17854.82 249.63 o -7 3 3 12462.07 12630.50 183.72 o -5 3 3 8033.54 8222.51 131.15 o -3 3 3 163.74 166.60 10.20 o -1 3 3 46586.98 47159.53 315.32 o 1 3 3 21212.69 21725.57 235.82 o 3 3 3 5801.71 6013.52 141.57 o 5 3 3 5288.80 5322.83 155.67 o 7 3 3 18306.83 17702.84 330.16 o 9 3 3 722.37 898.70 46.18 o 11 3 3 1945.80 1847.45 99.03 o -16 4 3 9205.14 9026.21 290.35 o -14 4 3 8490.38 8026.72 261.41 o -12 4 3 29763.48 28325.47 428.83 o -10 4 3 36908.04 36832.02 419.65 o -8 4 3 6757.08 6866.35 162.43 o -6 4 3 8194.71 8117.30 153.15 o -4 4 3 48603.90 47584.46 347.59 o -2 4 3 45861.51 45165.34 337.07 o 0 4 3 8347.97 8072.34 149.70 o 2 4 3 29496.73 29708.03 323.74 o 4 4 3 40841.09 40436.32 431.26 o 6 4 3 10674.80 10318.79 251.27 o 8 4 3 3045.94 2803.29 127.83 o 10 4 3 21449.60 20921.34 436.42 o -15 5 3 3465.26 3384.38 159.31 o -13 5 3 2600.42 2434.88 128.34 o -11 5 3 4225.43 4066.20 164.15 o -9 5 3 8188.71 8338.23 203.62 o -7 5 3 439.92 463.63 26.19 o -5 5 3 10847.19 10818.56 187.13 o -3 5 3 136.23 120.70 12.68 o -1 5 3 5536.39 5290.67 132.60 o 1 5 3 5369.74 5456.53 145.70 o 3 5 3 1017.25 1040.70 52.12 o 5 5 3 1090.59 1070.19 56.53 o 7 5 3 3.61 99.20 47.12 o 9 5 3 2442.55 2475.60 130.80 o -14 6 3 13461.20 12427.09 362.36 o -12 6 3 10396.03 10237.03 302.53 o -10 6 3 16280.98 16270.84 326.08 o -8 6 3 22461.11 22863.27 355.06 o -6 6 3 11975.51 12279.93 234.29 o -4 6 3 13149.68 12378.89 217.98 o -2 6 3 29273.10 27384.35 322.83 o 0 6 3 24648.25 24012.55 317.15 o 2 6 3 8498.82 8802.49 211.34 o 4 6 3 9499.20 9422.67 243.15 o 6 6 3 23383.77 22609.07 423.96 o 8 6 3 16536.44 15031.37 383.58 o -11 7 3 7579.84 7364.99 257.39 o -9 7 3 2411.93 2469.77 117.97 o -7 7 3 102.53 43.54 48.77 o -5 7 3 4852.82 4769.43 156.59 o -3 7 3 7160.86 7015.59 182.02 o -1 7 3 2684.97 2663.53 113.59 o 1 7 3 1467.01 1520.08 75.16 o 3 7 3 7273.80 7210.72 222.52 o 5 7 3 3987.33 4123.33 192.92 o -8 8 3 1343.70 1433.38 71.70 o -6 8 3 13953.25 13774.20 301.96 o -4 8 3 10952.14 11046.39 253.35 o -2 8 3 1105.93 1108.97 57.21 o 0 8 3 5669.59 5572.49 187.58 o 2 8 3 8045.85 8269.95 247.89 o -18 0 4 31565.84 31503.18 521.48 o -16 0 4 7574.44 7265.09 233.90 o -14 0 4 15602.36 15591.07 286.53 o -12 0 4 69069.32 71974.45 534.37 o -10 0 4 59234.07 64969.12 434.74 o -8 0 4 9944.95 10007.46 144.65 o -6 0 4 64051.93 65114.63 335.94 o -4 0 4 21712.13 19198.96 169.95 o -2 0 4 14974.33 14363.80 153.14 o 0 0 4 37071.67 37662.61 280.78 o 2 0 4 96671.91 96784.68 532.65 o 4 0 4 26981.74 28221.48 323.90 o 6 0 4 22069.06 22049.90 332.06 o 8 0 4 12541.19 12016.31 284.84 o 10 0 4 14301.20 13579.29 340.48 o -19 1 4 309.86 320.67 26.05 o -17 1 4 525.41 495.79 42.93 o -15 1 4 3296.53 3435.68 302.85 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