#------------------------------------------------------------------------------ #$Date: 2009-11-11 20:41:08 +0200 (Wed, 11 Nov 2009) $ #$Revision: 840 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2223299.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_2223299_Fobs loop_ _publ_author_name 'Zhu, Jing' 'Cheng, Wen-Dan' 'Zhang, Hao' _publ_section_title ; Caesium europium(III) polyphosphate, CsEu(PO~3~)~4~ ; _journal_coeditor_code BT5050 _journal_issue 10 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i70 _journal_volume 65 _journal_year 2009 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90.000 _cell_angle_beta 106.354 _cell_angle_gamma 90.000 _cell_length_a 10.3571 _cell_length_b 8.9615 _cell_length_c 11.1957 _exptl_crystal_F_000 1096.00 _reflns_d_resolution_high 0.7702 _[local]_cod_data_source_file bt5050Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' a in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 448.67 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -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 2476.44 2506.38 35.65 o 4 0 0 25397.89 24029.03 648.92 o 6 0 0 119533.84 108205.99 4413.76 o 8 0 0 1180.23 1158.18 62.49 o 10 0 0 3227.98 3503.52 200.38 o 12 0 0 23643.52 25848.10 696.99 o 1 1 0 4093.66 4466.36 61.81 o 2 1 0 1056.44 1164.60 21.00 o 3 1 0 25.07 38.71 7.71 o 4 1 0 13401.15 13853.84 158.30 o 5 1 0 22987.46 22989.30 269.92 o 6 1 0 507.37 476.52 63.08 o 7 1 0 716.23 751.90 30.39 o 8 1 0 1373.19 1369.62 100.53 o 9 1 0 838.45 826.19 43.96 o 10 1 0 0.23 13.41 35.12 o 11 1 0 4529.18 4562.17 219.61 o 12 1 0 1133.21 1202.34 107.44 o 0 2 0 1212.72 1305.18 40.47 o 1 2 0 8201.92 8955.66 122.25 o 2 2 0 147464.70 127611.16 3179.65 o 3 2 0 17.19 15.82 3.15 o 4 2 0 68819.38 66228.36 958.22 o 5 2 0 9609.86 9900.82 136.25 o 6 2 0 5261.06 4966.64 126.33 o 7 2 0 7319.90 7378.91 118.26 o 8 2 0 20112.11 20749.32 340.73 o 9 2 0 7748.56 7724.66 208.65 o 10 2 0 14572.79 14878.02 310.83 o 11 2 0 6.51 13.22 17.49 o 12 2 0 2309.30 2452.91 153.06 o 1 3 0 9464.52 9944.27 124.33 o 2 3 0 33441.32 35456.18 662.74 o 3 3 0 7259.41 6594.17 110.11 o 4 3 0 17263.75 17903.92 259.30 o 5 3 0 3103.93 3264.12 67.23 o 6 3 0 1819.83 1837.04 67.43 o 7 3 0 1934.02 1977.13 69.33 o 8 3 0 2512.07 2592.34 82.74 o 9 3 0 6410.08 6609.50 228.19 o 10 3 0 4587.64 4587.81 161.89 o 11 3 0 58.20 47.90 28.36 o 12 3 0 334.47 284.18 62.87 o 0 4 0 18442.24 20099.37 625.92 o 1 4 0 20650.45 21795.82 391.22 o 2 4 0 49025.30 51685.70 849.57 o 3 4 0 101.67 181.73 12.95 o 4 4 0 42538.22 42516.36 508.89 o 5 4 0 1695.23 1653.57 49.10 o 6 4 0 878.97 994.02 45.86 o 7 4 0 16636.63 16740.00 484.66 o 8 4 0 21680.42 22197.19 337.97 o 9 4 0 2243.56 2362.15 88.05 o 10 4 0 8999.61 9126.85 305.52 o 11 4 0 436.87 409.91 74.07 o 12 4 0 5005.85 5231.01 235.42 o 1 5 0 17256.50 17599.57 215.35 o 2 5 0 12035.17 12955.23 155.24 o 3 5 0 12258.63 12869.97 154.53 o 4 5 0 14184.36 15205.93 200.95 o 5 5 0 10742.36 11235.16 185.38 o 6 5 0 8266.50 8336.75 142.72 o 7 5 0 12514.19 12470.35 230.78 o 8 5 0 5018.84 5274.84 138.39 o 9 5 0 4058.50 4153.41 125.28 o 10 5 0 670.82 673.72 52.71 o 11 5 0 1544.89 1540.09 196.05 o 0 6 0 41915.61 45042.39 829.78 o 1 6 0 1749.81 1817.21 55.10 o 2 6 0 1538.09 1591.56 54.02 o 3 6 0 2047.95 2137.49 53.41 o 4 6 0 159.65 188.68 16.82 o 5 6 0 2682.33 2810.62 77.76 o 6 6 0 40759.55 42516.80 1241.34 o 7 6 0 2549.09 2555.73 96.08 o 8 6 0 669.76 667.66 54.84 o 9 6 0 1411.47 1402.57 89.29 o 10 6 0 4042.22 3852.61 132.87 o 11 6 0 831.00 776.70 78.84 o 1 7 0 17590.70 19083.82 300.07 o 2 7 0 113.48 129.37 17.50 o 3 7 0 2744.19 2929.49 70.23 o 4 7 0 2588.37 2690.78 75.77 o 5 7 0 28834.53 30546.72 625.87 o 6 7 0 1104.85 1074.21 65.83 o 7 7 0 8947.38 8983.11 194.53 o 8 7 0 408.52 387.05 49.51 o 9 7 0 4420.05 4306.48 173.19 o 10 7 0 2504.41 2443.22 120.56 o 0 8 0 5853.53 6066.35 157.64 o 1 8 0 1598.99 1644.63 58.83 o 2 8 0 8185.50 8615.26 220.90 o 3 8 0 1609.12 1602.55 56.78 o 4 8 0 3121.18 3108.38 98.43 o 5 8 0 1656.76 1636.94 65.67 o 6 8 0 259.70 271.14 38.83 o 7 8 0 429.05 410.60 52.39 o 8 8 0 7484.98 7384.07 193.67 o 9 8 0 25.59 26.48 50.41 o 1 9 0 2579.79 2701.78 81.18 o 2 9 0 3886.33 4096.28 102.47 o 3 9 0 41300.98 43569.57 455.13 o 4 9 0 3035.66 3207.15 121.42 o 5 9 0 842.74 785.33 62.77 o 6 9 0 1089.81 1096.61 75.53 o 7 9 0 13225.68 13669.99 297.11 o 8 9 0 586.61 476.55 62.30 o 0 10 0 921.14 922.19 73.72 o 1 10 0 1687.11 1669.67 70.34 o 2 10 0 88.29 64.71 18.10 o 3 10 0 3504.76 3584.72 136.42 o 4 10 0 585.49 556.21 51.46 o 5 10 0 1242.06 1195.92 112.17 o 6 10 0 10.74 51.15 33.69 o 1 11 0 11332.77 11686.76 257.86 o 2 11 0 2721.12 2606.44 111.69 o 3 11 0 6108.69 6094.79 171.87 o 4 11 0 5389.63 5220.02 244.52 o -13 0 1 357.38 451.14 118.30 o -11 0 1 1391.25 1540.71 176.67 o -9 0 1 9382.44 9511.84 253.19 o -7 0 1 2492.67 2260.82 152.70 o -5 0 1 4790.08 4285.98 81.46 o -1 0 1 4735.33 5353.34 147.29 o 1 0 1 690.92 726.78 24.76 o 3 0 1 81304.24 65864.25 1509.73 o 5 0 1 361.43 351.93 42.39 o 7 0 1 372.24 474.21 74.11 o 9 0 1 24185.98 24049.02 571.71 o 11 0 1 668.06 651.07 112.10 o -13 1 1 12015.80 13038.02 479.53 o -12 1 1 10.24 13.70 39.05 o -11 1 1 12853.71 13235.64 326.22 o -10 1 1 2142.61 2318.09 128.41 o -9 1 1 22123.03 22129.81 383.70 o -8 1 1 2369.94 2382.58 54.37 o -7 1 1 7089.75 6851.80 137.53 o -6 1 1 26.13 49.63 12.46 o -5 1 1 16958.75 16483.33 231.92 o -4 1 1 77.50 125.46 16.59 o -3 1 1 28198.34 28141.04 426.57 o -2 1 1 1995.22 2128.79 46.36 o -1 1 1 10470.85 11494.00 115.88 o 0 1 1 582.31 648.76 14.47 o 1 1 1 34546.11 32587.05 536.67 o 2 1 1 17089.99 16074.12 205.66 o 3 1 1 31400.02 28094.98 484.83 o 4 1 1 3527.36 3375.75 54.46 o 5 1 1 17806.34 17127.34 210.75 o 6 1 1 7137.96 7062.38 101.89 o 7 1 1 21926.86 21676.06 227.07 o 8 1 1 7692.44 7818.58 129.60 o 9 1 1 15649.27 15839.14 409.36 o 10 1 1 574.86 560.30 48.17 o 11 1 1 10915.66 11756.02 457.53 o 12 1 1 523.02 528.92 73.31 o -12 2 1 105.51 101.20 34.41 o -11 2 1 1850.54 2020.30 240.47 o -10 2 1 6969.12 7195.99 262.27 o -9 2 1 168.58 141.70 19.34 o -8 2 1 1508.08 1487.89 48.98 o -7 2 1 145.70 168.66 19.80 o -6 2 1 114.19 121.58 15.94 o -5 2 1 44698.19 45468.78 608.53 o -4 2 1 16837.43 17231.98 253.91 o -3 2 1 18847.93 19885.79 222.97 o -2 2 1 9385.35 10049.43 137.68 o -1 2 1 36424.01 39159.96 988.22 o 0 2 1 415.64 488.55 46.99 o 1 2 1 30975.11 31012.58 432.38 o 2 2 1 39103.30 36789.69 512.28 o 3 2 1 16.70 34.66 9.30 o 4 2 1 9062.73 8742.89 135.27 o 5 2 1 17150.19 17035.58 174.41 o 6 2 1 10485.16 10557.57 154.17 o 7 2 1 17901.98 17838.76 271.14 o 8 2 1 22655.91 22771.66 391.04 o 9 2 1 696.36 740.18 62.61 o 10 2 1 2505.41 2733.38 127.10 o 11 2 1 12760.44 13486.11 420.74 o 12 2 1 2935.31 2969.84 166.27 o -12 3 1 49.26 16.29 16.89 o -11 3 1 7744.90 7573.47 227.58 o -10 3 1 361.34 308.23 44.55 o -9 3 1 1676.18 1737.28 121.83 o -8 3 1 8813.52 8657.65 190.88 o -7 3 1 41680.90 42170.26 587.48 o -6 3 1 295.46 260.56 19.21 o -5 3 1 9901.82 9356.92 189.99 o -4 3 1 200.24 193.64 12.20 o -3 3 1 5125.54 5393.13 91.62 o -2 3 1 1417.45 1506.39 40.32 o -1 3 1 92278.37 87842.05 1556.44 o 0 3 1 24210.10 26271.36 373.82 o 1 3 1 5518.48 5369.76 85.98 o 2 3 1 3547.06 3513.35 56.14 o 3 3 1 23851.48 24346.50 330.74 o 4 3 1 2273.35 2296.02 55.76 o 5 3 1 40539.05 39948.03 1208.71 o 6 3 1 15612.44 16029.77 228.10 o 7 3 1 4824.37 4952.16 124.51 o 8 3 1 2.02 13.45 16.94 o 9 3 1 14869.52 15326.04 241.84 o 10 3 1 2556.51 2472.54 129.09 o 11 3 1 5746.14 5635.86 191.31 o 12 3 1 788.22 565.30 104.94 o -12 4 1 17924.82 18879.59 379.76 o -11 4 1 4656.95 4704.22 209.49 o -10 4 1 131.25 140.90 40.40 o -9 4 1 422.79 348.56 37.45 o -8 4 1 10541.78 10897.75 207.82 o -7 4 1 8455.05 8895.72 345.01 o -6 4 1 5775.99 5791.18 97.83 o -5 4 1 3548.93 3452.14 75.80 o -4 4 1 551.40 513.75 26.61 o -3 4 1 8511.79 9244.27 152.32 o -2 4 1 23967.32 25762.28 353.94 o -1 4 1 4833.64 5339.55 98.35 o 0 4 1 16648.75 18280.49 294.58 o 1 4 1 11191.11 11522.67 155.25 o 2 4 1 2468.26 2449.42 50.65 o 3 4 1 232.90 257.08 11.27 o 4 4 1 102988.99 101598.01 5259.32 o 5 4 1 3881.57 4000.77 85.95 o 6 4 1 824.03 770.24 36.98 o 7 4 1 592.30 656.24 58.33 o 8 4 1 1978.80 1900.06 76.84 o 9 4 1 3334.21 3406.89 108.97 o 10 4 1 22355.90 23235.84 919.54 o 11 4 1 1154.60 1202.86 137.86 o -11 5 1 7156.43 7308.12 301.22 o -10 5 1 1220.29 1208.23 114.77 o -9 5 1 25996.76 26501.83 448.90 o -8 5 1 8.43 22.58 21.06 o -7 5 1 61.91 95.85 28.84 o -6 5 1 43.16 59.53 13.54 o -5 5 1 22827.11 23607.71 334.83 o -4 5 1 446.04 430.87 27.58 o -3 5 1 36076.76 37907.25 434.57 o -2 5 1 2281.80 2295.85 73.98 o -1 5 1 91.38 116.57 31.29 o 0 5 1 18089.23 19738.90 245.46 o 1 5 1 59498.57 62615.68 866.55 o 2 5 1 1617.56 1792.12 44.43 o 3 5 1 10056.49 10198.43 145.55 o 4 5 1 7557.87 7822.28 102.50 o 5 5 1 181.13 237.41 22.25 o 6 5 1 11067.27 11251.67 272.16 o 7 5 1 19300.46 19121.89 308.49 o 8 5 1 228.39 215.12 34.48 o 9 5 1 708.43 786.12 61.21 o 10 5 1 147.85 156.61 36.30 o 11 5 1 1232.44 1105.87 90.52 o -11 6 1 1127.81 1088.30 102.58 o -10 6 1 13112.80 12892.84 251.73 o -9 6 1 10062.63 10216.68 269.98 o -8 6 1 6723.32 6839.24 168.32 o -7 6 1 2744.91 2630.97 96.93 o -6 6 1 11691.49 11939.99 207.03 o -5 6 1 4357.58 4606.88 84.21 o -4 6 1 15623.21 16214.76 286.62 o -3 6 1 24678.91 26495.85 291.80 o -2 6 1 8222.05 8718.91 149.15 o -1 6 1 397.24 426.72 28.09 o 0 6 1 5002.79 5236.97 106.52 o 1 6 1 5053.06 5160.37 105.30 o 2 6 1 26618.55 28076.57 303.56 o 3 6 1 22112.85 23117.54 258.93 o 4 6 1 4109.48 4295.97 104.64 o 5 6 1 1451.31 1505.00 74.05 o 6 6 1 22199.02 23243.33 420.89 o 7 6 1 36.33 175.71 33.56 o 8 6 1 6532.97 6378.22 158.81 o 9 6 1 6720.24 6956.42 176.49 o 10 6 1 5387.14 5427.84 206.15 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1 23207.02 24343.48 343.69 o 3 8 1 5560.47 5659.77 160.44 o 4 8 1 8520.17 8778.71 159.87 o 5 8 1 3485.95 3545.19 99.28 o 6 8 1 9604.71 9787.63 264.79 o 7 8 1 249.69 323.99 80.36 o 8 8 1 17147.97 17313.02 333.95 o 9 8 1 396.89 373.40 46.18 o -8 9 1 186.95 139.17 39.39 o -7 9 1 4671.42 4496.92 159.16 o -6 9 1 8802.45 9210.93 223.56 o -5 9 1 3.67 71.70 22.61 o -4 9 1 2168.18 2216.01 89.87 o -3 9 1 370.44 370.88 41.50 o -2 9 1 167.38 155.28 21.49 o -1 9 1 4694.12 4912.29 113.29 o 0 9 1 12625.93 13395.26 226.81 o 1 9 1 462.48 422.97 33.89 o 2 9 1 241.18 291.34 62.50 o 3 9 1 440.00 423.79 43.82 o 4 9 1 186.14 178.74 32.31 o 5 9 1 2689.75 2727.78 115.76 o 6 9 1 7526.67 7726.63 200.31 o 7 9 1 4.61 58.92 28.88 o -6 10 1 27010.15 27383.97 402.52 o -5 10 1 151.26 79.46 40.72 o -4 10 1 5282.25 5193.94 196.40 o -3 10 1 507.68 539.82 49.90 o -2 10 1 33534.03 35808.79 423.03 o -1 10 1 1.80 27.63 15.92 o 0 10 1 8703.19 8805.60 168.29 o 1 10 1 472.31 424.17 54.65 o 2 10 1 9844.55 9794.79 215.29 o 3 10 1 883.12 880.30 64.55 o 4 10 1 14990.23 15521.94 276.65 o 5 10 1 144.18 135.07 77.02 o 6 10 1 8996.48 8898.15 345.68 o -4 11 1 1107.37 1044.94 75.92 o -3 11 1 140.73 123.21 41.96 o -2 11 1 5105.75 5282.05 158.69 o -1 11 1 7123.88 7295.46 195.88 o 0 11 1 905.27 800.55 62.16 o 1 11 1 2712.66 2542.37 122.90 o 2 11 1 659.58 651.46 57.60 o 3 11 1 403.95 409.97 51.78 o -12 0 2 7674.83 7897.00 377.30 o -10 0 2 1809.99 1760.85 169.86 o -8 0 2 114667.21 104665.35 3808.84 o -6 0 2 8733.89 8986.35 206.95 o -4 0 2 10637.21 10273.41 260.06 o -2 0 2 119471.20 115392.41 2835.48 o 0 0 2 9167.36 9943.46 165.22 o 2 0 2 7338.14 7689.24 223.97 o 4 0 2 68825.70 66718.86 2103.71 o 6 0 2 10687.38 10753.00 279.68 o 8 0 2 34141.29 34027.91 1013.93 o 10 0 2 3770.20 4139.10 247.32 o 12 0 2 5.89 52.88 80.70 o -13 1 2 1341.26 1403.72 211.25 o -12 1 2 15021.40 15609.44 955.75 o -11 1 2 486.60 505.21 47.66 o -10 1 2 8326.68 8408.68 183.17 o -9 1 2 902.80 909.12 45.36 o -8 1 2 6660.09 6817.29 165.19 o -7 1 2 992.39 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