#------------------------------------------------------------------------------ #$Date: 2009-05-03 21:56:13 +0300 (Sun, 03 May 2009) $ #$Revision: 691 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2220941.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_2220941_Fobs loop_ _publ_author_name 'Ben Zarkouna, Emna' 'Driss, Ahmed' 'F\'erid, Mokhtar' _publ_section_title ; LiHo(PO~3~)~4~ ; _journal_coeditor_code WM2216 _journal_issue 2 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i10 _journal_volume 65 _journal_year 2009 _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 125.990 _cell_angle_gamma 90.000 _cell_length_a 16.2800 _cell_length_b 7.0390 _cell_length_c 9.5610 _exptl_crystal_F_000 904.00 _reflns_d_resolution_high 0.7579 _[local]_cod_data_source_file wm2216Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' emna16 in C 2/c' _shelx_refln_list_code 4 _shelx_F_calc_maximum 382.71 _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 48307.76 47173.24 93.10 o 4 0 0 908.21 1746.33 24.63 o 6 0 0 50886.20 52777.05 465.52 o 8 0 0 91187.52 102702.38 228.67 o 10 0 0 529.26 582.94 37.14 o 12 0 0 18797.71 21113.95 118.05 o 14 0 0 50873.50 56821.51 244.07 o 16 0 0 19339.59 21596.62 134.06 o 1 1 0 966.73 1125.86 81.80 o 3 1 0 10663.79 11243.44 131.37 o 5 1 0 3322.07 3494.09 56.15 o 7 1 0 1633.58 1845.22 42.61 o 9 1 0 2639.43 3096.74 31.87 o 11 1 0 5580.02 6463.91 60.78 o 13 1 0 1226.74 1425.77 23.16 o 15 1 0 434.71 464.96 15.12 o 17 1 0 393.14 507.39 16.43 o 0 2 0 8670.65 8412.69 38.69 o 2 2 0 34772.05 30956.12 669.34 o 4 2 0 30850.40 31918.66 529.05 o 6 2 0 42936.50 48340.50 797.56 o 8 2 0 26110.88 29072.42 579.67 o 10 2 0 35241.17 40351.79 567.67 o 12 2 0 13731.54 16133.33 265.81 o 14 2 0 4201.72 4739.39 60.72 o 16 2 0 3294.18 3604.99 40.69 o 1 3 0 63399.51 59230.33 4091.11 o 3 3 0 7845.99 7934.17 103.16 o 5 3 0 11993.00 12751.97 520.03 o 7 3 0 36241.72 41381.68 2303.23 o 9 3 0 7455.71 8451.44 393.82 o 11 3 0 1057.30 1178.33 30.09 o 13 3 0 20179.53 23262.61 667.24 o 15 3 0 19896.69 22488.69 539.65 o 0 4 0 40.76 129.95 6.11 o 2 4 0 15416.64 15430.13 95.88 o 4 4 0 14178.66 15540.10 655.72 o 6 4 0 118.50 148.89 28.62 o 8 4 0 762.71 937.48 95.39 o 10 4 0 11370.54 13180.74 554.31 o 12 4 0 951.40 1148.90 42.06 o 14 4 0 353.12 474.03 17.29 o 1 5 0 10776.20 10158.43 445.90 o 3 5 0 23003.97 22086.06 378.12 o 5 5 0 42049.03 45920.08 3499.14 o 7 5 0 28273.39 31766.25 2630.30 o 9 5 0 15841.79 18125.49 1479.21 o 11 5 0 14411.48 16967.02 1352.57 o 13 5 0 13974.07 16375.25 760.70 o 0 6 0 581.89 618.27 29.86 o 2 6 0 1400.03 1453.39 42.37 o 4 6 0 52.10 120.45 7.61 o 6 6 0 4302.36 5121.09 518.10 o 8 6 0 50.48 184.76 60.85 o 10 6 0 34.51 110.99 38.76 o 12 6 0 507.06 679.10 100.63 o 1 7 0 6604.61 6630.18 119.45 o 3 7 0 34446.00 32105.06 783.23 o 5 7 0 15514.54 16599.53 1526.23 o 7 7 0 392.43 552.70 76.26 o 9 7 0 4833.91 5714.27 758.50 o 11 7 0 19764.09 23076.48 2555.32 o 0 8 0 7549.55 7524.17 120.06 o 2 8 0 5452.12 5339.06 69.11 o 4 8 0 6639.92 6719.15 318.81 o 6 8 0 4506.67 5686.44 362.47 o 8 8 0 9593.54 11411.57 1571.45 o 1 9 0 1799.16 1760.59 87.32 o 3 9 0 1503.89 1335.99 81.52 o -17 1 1 19676.02 21888.07 380.58 o -15 1 1 14297.71 16770.12 242.94 o -13 1 1 3961.63 4490.80 65.98 o -11 1 1 26905.94 30641.26 452.74 o -9 1 1 62327.55 67403.83 407.15 o -7 1 1 28541.48 27761.32 225.03 o -5 1 1 22957.45 19874.11 200.49 o -3 1 1 95743.95 85750.98 939.67 o -1 1 1 35484.68 34090.04 1170.04 o 1 1 1 30687.57 31367.75 196.31 o 3 1 1 58688.81 60620.69 111.10 o 5 1 1 39771.39 39584.40 162.35 o 7 1 1 14496.39 13950.58 299.19 o 9 1 1 42357.26 44220.75 546.26 o 11 1 1 24813.09 26651.73 185.42 o 13 1 1 5920.49 6465.25 115.33 o 15 1 1 6975.27 7612.74 126.45 o -16 2 1 6489.14 7796.26 155.34 o -14 2 1 78.07 129.80 6.28 o -12 2 1 2307.35 2821.95 123.17 o -10 2 1 42608.30 48854.99 549.23 o -8 2 1 5616.54 5243.40 64.47 o -6 2 1 4740.65 4938.23 45.45 o -4 2 1 30607.25 28808.02 195.15 o -2 2 1 74213.98 71908.20 4386.96 o 0 2 1 1599.55 2184.40 80.05 o 2 2 1 512.47 431.64 9.33 o 4 2 1 38544.65 39703.67 202.74 o 6 2 1 36886.14 36069.02 322.17 o 8 2 1 266.24 239.24 55.41 o 10 2 1 10056.31 10836.58 212.67 o 12 2 1 14035.67 15366.73 406.89 o 14 2 1 1116.97 1192.80 32.62 o -17 3 1 7375.35 8802.55 129.79 o -15 3 1 5355.10 6312.50 105.02 o -13 3 1 7204.02 8572.86 118.46 o -11 3 1 8672.23 10658.70 126.03 o -9 3 1 11434.06 12425.37 127.43 o -7 3 1 8425.50 8049.48 88.88 o -5 3 1 9808.38 9298.85 77.54 o -3 3 1 5121.10 4403.72 39.88 o -1 3 1 44283.93 46915.24 410.65 o 1 3 1 28957.26 32607.10 113.92 o 3 3 1 19046.18 19932.14 111.72 o 5 3 1 6092.92 5827.81 73.40 o 7 3 1 8557.92 8482.23 98.51 o 9 3 1 1894.92 2015.02 51.78 o 11 3 1 14151.08 14723.75 147.01 o 13 3 1 8097.49 8493.39 118.00 o 15 3 1 2947.65 3115.23 76.98 o -16 4 1 11472.69 14266.12 167.79 o -14 4 1 18597.41 22707.43 205.52 o -12 4 1 24874.48 30441.46 230.97 o -10 4 1 8553.85 10483.27 130.68 o -8 4 1 19153.05 19345.71 160.92 o -6 4 1 23370.73 21756.34 145.42 o -4 4 1 42891.78 40819.32 158.97 o -2 4 1 17900.70 17400.66 79.17 o 0 4 1 45092.44 45928.48 141.62 o 2 4 1 41885.55 43923.02 170.51 o 4 4 1 31786.93 32932.84 177.25 o 6 4 1 9372.45 8760.89 102.64 o 8 4 1 23811.49 23549.32 180.22 o 10 4 1 16785.15 17336.69 162.26 o 12 4 1 8119.34 8359.90 118.35 o 14 4 1 9027.88 9453.35 130.58 o -15 5 1 269.98 440.50 23.17 o -13 5 1 7767.89 9588.81 139.97 o -11 5 1 1996.88 2566.56 70.61 o -9 5 1 4473.99 4879.80 92.06 o -7 5 1 20242.97 19967.21 164.63 o -5 5 1 3337.92 3480.91 56.79 o -3 5 1 17036.53 17809.42 99.57 o -1 5 1 169.30 229.10 11.24 o 1 5 1 23290.40 24955.62 132.62 o 3 5 1 4002.16 4399.77 66.90 o 5 5 1 3845.61 3980.95 72.89 o 7 5 1 8897.88 8880.48 115.61 o 9 5 1 3697.82 3814.57 78.60 o 11 5 1 4173.58 4094.55 86.75 o 13 5 1 121.14 154.92 11.35 o -14 6 1 9992.30 12631.82 171.83 o -12 6 1 12270.75 15156.73 185.45 o -10 6 1 18114.59 19688.02 208.00 o -8 6 1 13236.27 13370.65 156.43 o -6 6 1 14869.36 14119.42 138.55 o -4 6 1 29555.36 28289.29 156.58 o -2 6 1 30933.51 30920.41 135.27 o 0 6 1 12020.11 12538.52 96.21 o 2 6 1 17521.02 18042.35 138.24 o 4 6 1 28713.73 28698.92 202.24 o 6 6 1 20703.79 18466.31 176.71 o 8 6 1 8649.20 8654.88 125.00 o 10 6 1 10624.88 11002.15 144.62 o 12 6 1 14487.24 15183.46 172.88 o -11 7 1 1280.16 1971.66 73.62 o -9 7 1 551.90 619.74 28.62 o -7 7 1 5912.99 5868.44 105.23 o -5 7 1 5936.74 6043.32 87.83 o -3 7 1 372.88 362.76 15.86 o -1 7 1 3094.13 3126.07 50.79 o 1 7 1 11016.07 11474.16 113.49 o 3 7 1 4425.27 4567.55 85.04 o 5 7 1 337.46 351.01 18.37 o 7 7 1 2904.32 2897.79 76.36 o 9 7 1 4622.20 4704.95 99.92 o -8 8 1 5249.20 5126.20 111.77 o -6 8 1 20229.96 18740.98 183.48 o -4 8 1 3473.00 3367.21 62.20 o -2 8 1 2735.95 2718.73 49.14 o 0 8 1 10855.29 10929.67 112.67 o 2 8 1 7067.23 7028.86 107.16 o 4 8 1 1128.42 1151.86 50.51 o 6 8 1 12038.40 10700.14 157.77 o -5 9 1 8635.76 8559.99 119.19 o -3 9 1 3366.19 3366.15 60.47 o -1 9 1 8009.21 7957.22 98.27 o 1 9 1 11992.08 11893.54 141.15 o 3 9 1 2412.97 2483.45 74.18 o -18 0 2 11976.76 13832.28 155.12 o -16 0 2 1622.99 2020.50 57.63 o -14 0 2 31767.25 35139.01 225.17 o -12 0 2 80277.18 79078.88 316.57 o -10 0 2 1565.27 1234.11 34.09 o -8 0 2 21584.79 19450.66 107.87 o -4 0 2 73612.53 73926.15 436.40 o -2 0 2 313.98 548.46 8.44 o 0 0 2 146470.13 158789.06 632.19 o 4 0 2 8321.97 7777.57 62.39 o 6 0 2 9436.76 8872.44 83.35 o 8 0 2 52924.43 49524.07 232.80 o 10 0 2 29543.39 28491.43 192.13 o 12 0 2 10019.99 9951.17 122.90 o 14 0 2 16471.57 17003.02 169.19 o -19 1 2 31.88 95.27 14.30 o -17 1 2 2023.05 2395.79 45.46 o -15 1 2 3626.50 4072.36 56.44 o -13 1 2 6129.80 6556.59 66.85 o -11 1 2 2578.64 2638.71 38.73 o -9 1 2 7874.11 7774.68 61.47 o -7 1 2 3333.78 4472.43 32.91 o -5 1 2 146.32 792.82 445.08 o -3 1 2 1913.09 1930.39 12.54 o -1 1 2 33653.26 34234.52 591.73 o 1 1 2 2525.43 2631.53 20.71 o 3 1 2 17861.51 20422.24 64.47 o 5 1 2 5204.45 5109.19 40.93 o 7 1 2 3701.62 3545.66 41.80 o 9 1 2 2345.07 2316.82 37.51 o 11 1 2 353.32 369.91 23.62 o 13 1 2 4530.31 4642.93 163.10 o 15 1 2 3517.39 3722.96 58.27 o -18 2 2 9461.27 10691.51 233.51 o -16 2 2 17569.28 20225.96 129.95 o -14 2 2 14984.95 16775.20 113.05 o -12 2 2 7407.66 7465.28 247.18 o -10 2 2 29447.72 28248.66 656.81 o -8 2 2 46106.90 42926.82 123.21 o -6 2 2 24397.61 23635.87 280.78 o -4 2 2 5859.10 5107.78 58.47 o -2 2 2 42286.75 40371.17 1260.80 o 0 2 2 62641.26 64898.07 1422.96 o 2 2 2 33414.68 35190.13 95.87 o 4 2 2 24319.40 24624.10 125.72 o 6 2 2 34680.34 34626.61 627.35 o 8 2 2 15554.19 14110.42 153.39 o 10 2 2 5785.63 5605.14 124.04 o 12 2 2 12049.05 12669.18 99.81 o 14 2 2 11055.65 11486.20 143.60 o -17 3 2 763.11 824.64 35.70 o -15 3 2 3051.04 3533.56 79.98 o -13 3 2 27041.89 29570.97 218.95 o -11 3 2 13693.39 13410.61 130.46 o -9 3 2 1629.25 1433.88 36.76 o -7 3 2 29296.62 27382.99 129.93 o -5 3 2 70796.72 70815.80 626.40 o -3 3 2 23554.46 24687.16 84.68 o -1 3 2 5740.61 5325.93 39.77 o 1 3 2 28200.66 28285.13 106.59 o 3 3 2 17128.93 17788.89 101.32 o 5 3 2 4609.86 4620.28 62.18 o 7 3 2 19436.20 18278.53 145.10 o 9 3 2 25558.49 24209.71 181.89 o 11 3 2 4661.22 4454.66 83.82 o 13 3 2 5623.99 5602.74 100.39 o -16 4 2 6301.09 7371.89 119.69 o -14 4 2 202.62 353.31 18.53 o -12 4 2 677.11 658.94 29.73 o -10 4 2 10601.95 10346.49 112.32 o -8 4 2 14049.17 13319.70 107.69 o -6 4 2 2751.49 2650.34 39.91 o -4 4 2 9499.96 9895.63 63.93 o -2 4 2 13175.26 14055.90 72.61 o 0 4 2 61.74 113.77 5.63 o 2 4 2 1661.00 1635.30 31.72 o 4 4 2 6712.32 6917.41 75.71 o 6 4 2 786.18 891.05 32.33 o 8 4 2 3259.43 2931.24 65.22 o 10 4 2 12241.84 11583.68 135.28 o 12 4 2 2083.58 2234.94 62.54 o -15 5 2 11469.99 13781.87 171.27 o -13 5 2 14704.37 16238.86 179.02 o -11 5 2 20103.26 19278.32 176.44 o -9 5 2 14381.50 13344.43 127.06 o -7 5 2 27418.84 26175.32 150.36 o -5 5 2 18155.21 17641.38 103.45 o -3 5 2 24385.34 25261.36 110.83 o -1 5 2 24031.58 24287.08 112.11 o 1 5 2 29902.92 30350.05 141.59 o 3 5 2 12496.24 12523.10 104.75 o 5 5 2 29035.01 29003.28 185.12 o 7 5 2 22906.75 20945.35 176.07 o 9 5 2 13087.17 12277.43 142.42 o 11 5 2 4805.13 5151.54 96.68 o -14 6 2 322.88 480.76 23.45 o -12 6 2 15.09 40.75 17.97 o -10 6 2 46.55 84.21 7.10 o -8 6 2 1878.31 2070.39 49.93 o -6 6 2 7895.59 8074.01 83.13 o -4 6 2 375.23 457.20 17.75 o -2 6 2 377.02 406.12 16.67 o 0 6 2 1248.28 1259.78 30.79 o 2 6 2 72.21 129.08 6.50 o 4 6 2 806.17 867.80 34.14 o 6 6 2 3678.98 3564.32 76.04 o 8 6 2 4920.24 4540.82 91.05 o 10 6 2 9.02 36.77 13.93 o -13 7 2 2586.82 3037.71 87.62 o -11 7 2 8086.47 7891.29 127.41 o -9 7 2 23822.45 21934.77 188.11 o -7 7 2 3699.15 3566.86 65.06 o -5 7 2 5958.15 5711.03 70.00 o -3 7 2 25412.55 25440.61 137.67 o -1 7 2 26122.00 26297.49 146.39 o 1 7 2 1005.34 1122.86 33.87 o 3 7 2 9088.81 9185.10 109.23 o 5 7 2 19977.34 19751.26 182.13 o 7 7 2 8701.99 7773.20 122.30 o 9 7 2 1402.58 1468.46 56.63 o -10 8 2 5021.64 4648.62 97.93 o -8 8 2 4130.71 3874.44 78.55 o -6 8 2 3946.85 3802.91 67.22 o -4 8 2 7335.69 7231.28 81.36 o -2 8 2 4154.76 4210.84 62.74 o 0 8 2 6416.26 6524.55 85.39 o 2 8 2 14709.11 14912.04 144.12 o 4 8 2 8180.01 8363.60 120.62 o 6 8 2 1039.65 1016.45 44.14 o -5 9 2 3837.61 3801.51 66.87 o -3 9 2 5013.48 5034.41 74.01 o -1 9 2 73.74 89.25 7.17 o 1 9 2 1642.27 1701.91 51.03 o -19 1 3 5815.53 6694.43 78.69 o -17 1 3 17875.17 19259.28 127.77 o -15 1 3 28667.14 28951.37 513.95 o -13 1 3 5550.10 5615.99 228.20 o -11 1 3 17902.27 16194.74 81.85 o -9 1 3 50485.58 47796.89 127.03 o -7 1 3 55045.39 56176.95 594.52 o -5 1 3 30153.96 29154.94 298.45 o -3 1 3 69937.87 67804.39 309.18 o -1 1 3 18649.61 17124.32 222.53 o 1 1 3 26951.69 27706.26 216.73 o 3 1 3 52927.39 54359.50 611.01 o 5 1 3 33521.72 33049.19 108.12 o 7 1 3 4806.59 4394.07 102.92 o 9 1 3 22991.39 19886.08 114.83 o 11 1 3 29114.38 27521.06 300.76 o 13 1 3 6072.70 6074.91 83.06 o -18 2 3 1461.50 1604.16 61.88 o -16 2 3 13228.06 14249.08 111.90 o -14 2 3 7305.54 6869.66 172.71 o -12 2 3 234.44 260.52 37.69 o -10 2 3 8271.46 7900.55 54.12 o -8 2 3 37532.76 36352.53 225.28 o -6 2 3 17453.66 18274.82 56.20 o -4 2 3 6778.77 6597.44 112.31 o -2 2 3 21434.80 20400.39 394.14 o 0 2 3 21555.80 22051.62 139.71 o 2 2 3 206.67 205.58 48.33 o 4 2 3 9700.25 9748.76 159.35 o 6 2 3 19616.61 19441.83 188.70 o 8 2 3 6647.41 5790.43 208.53 o 10 2 3 2619.73 2410.75 61.55 o 12 2 3 8935.65 8796.85 86.50 o -17 3 3 7022.68 8093.91 124.73 o -15 3 3 8801.06 8477.46 119.37 o -13 3 3 14250.74 13024.92 129.28 o -11 3 3 2733.21 2709.63 50.77 o -9 3 3 18113.29 17779.85 109.16 o -7 3 3 13451.31 13259.82 78.53 o -5 3 3 8931.46 9224.14 56.72 o -3 3 3 329.01 236.63 9.15 o -1 3 3 48810.77 51150.74 136.21 o 1 3 3 23130.12 24342.78 105.71 o 3 3 3 6703.28 6877.45 65.53 o 5 3 3 5626.76 5616.52 69.73 o 7 3 3 19680.94 18798.56 148.87 o 9 3 3 1002.43 1058.20 39.20 o 11 3 3 1950.06 1869.31 56.21 o -18 4 3 11738.47 13834.93 170.91 o -16 4 3 8962.20 9353.16 135.90 o -14 4 3 9280.36 8589.60 117.89 o -12 4 3 31762.47 28908.93 187.95 o -10 4 3 36564.27 33655.09 175.08 o -8 4 3 6985.06 6787.92 67.00 o -6 4 3 9738.64 9157.11 66.80 o -4 4 3 49875.02 50474.30 145.14 o -2 4 3 46103.46 46994.67 140.74 o 0 4 3 9907.85 9918.15 69.74 o 2 4 3 31038.28 32088.30 144.03 o 4 4 3 41144.38 41964.05 190.01 o 6 4 3 12050.40 11854.15 116.82 o 8 4 3 3603.62 3146.76 68.38 o 10 4 3 20541.80 18834.87 179.33 o 12 4 3 11075.89 10764.64 141.21 o -17 5 3 188.05 246.91 14.48 o -15 5 3 3045.41 3002.17 78.66 o -13 5 3 2936.21 2690.44 65.18 o -11 5 3 4389.78 4217.04 71.60 o -9 5 3 7948.71 7755.73 83.67 o -7 5 3 795.12 712.27 22.39 o -5 5 3 11541.81 11822.43 79.64 o -3 5 3 84.32 84.70 4.07 o -1 5 3 5480.72 5747.89 56.89 o 1 5 3 6030.22 6376.20 66.26 o 3 5 3 1052.02 1129.13 32.42 o 5 5 3 1036.20 986.80 34.60 o 7 5 3 3.71 56.54 7.86 o 9 5 3 3113.08 2686.93 70.15 o 11 5 3 2.30 39.81 16.34 o -14 6 3 13651.20 13169.33 160.84 o -12 6 3 11191.36 10165.70 125.93 o -10 6 3 16834.86 15141.50 134.81 o -8 6 3 23608.09 22862.02 144.60 o -6 6 3 13816.69 14039.59 99.87 o -4 6 3 14857.09 14659.11 96.46 o -2 6 3 30391.40 29898.61 140.51 o 0 6 3 26608.09 26723.82 143.04 o 2 6 3 9144.14 9414.96 94.55 o 4 6 3 9872.09 9339.05 106.23 o 6 6 3 24585.40 23920.12 190.56 o 8 6 3 18275.67 16315.94 173.52 o -13 7 3 3052.01 2920.26 75.53 o -11 7 3 7474.24 6776.33 102.90 o -9 7 3 2010.15 1839.51 48.44 o -7 7 3 166.02 175.68 9.06 o -5 7 3 5110.37 5167.87 63.72 o -3 7 3 6841.33 6852.09 73.39 o -1 7 3 2127.85 2111.86 42.88 o 1 7 3 1589.85 1589.76 40.64 o 3 7 3 7041.33 7181.26 95.09 o 5 7 3 3736.86 3518.06 75.69 o 7 7 3 374.43 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