#------------------------------------------------------------------------------ #$Date: 2013-03-10 17:00:37 +0200 (Sun, 10 Mar 2013) $ #$Revision: 75609 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/23/72/2237250.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_2237250_Fobs loop_ _publ_author_name 'Zhu, Jing' 'Chen, Hui' _publ_section_title ; RbYb(PO~3~)~4~ ; _journal_coeditor_code WM2707 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i3 _journal_volume 69 _journal_year 2013 _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 106.323 _cell_angle_gamma 90.000 _cell_length_a 10.2022 _cell_length_b 8.7975 _cell_length_c 10.9300 _exptl_crystal_F_000 263.00 _reflns_d_resolution_high 0.7085 _[local]_cod_data_source_file wm2707Isup2.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 407.80 _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 11714.93 15353.74 738.24 o 4 0 0 48149.69 56531.41 2510.93 o 6 0 0 95372.59 116713.11 7035.55 o 8 0 0 6433.31 8403.56 606.95 o 10 0 0 7436.45 9308.09 1113.36 o 1 1 0 1463.82 1606.84 214.33 o 2 1 0 26.96 116.69 62.23 o 3 1 0 3921.11 4859.31 262.45 o 4 1 0 8483.37 10285.17 1067.61 o 5 1 0 14504.06 16570.94 1777.45 o 6 1 0 621.77 759.41 122.44 o 7 1 0 1695.08 1908.86 165.67 o 8 1 0 626.33 747.95 166.56 o 9 1 0 306.32 337.75 185.26 o 10 1 0 158.52 35.78 191.56 o 11 1 0 1187.93 1560.16 407.45 o 12 1 0 814.80 370.91 378.91 o 0 2 0 12571.54 11969.01 1215.25 o 1 2 0 2447.04 2335.83 331.89 o 2 2 0 147377.97 151248.66 17312.42 o 3 2 0 46.36 16.29 48.99 o 4 2 0 65118.39 76541.41 4431.84 o 5 2 0 4146.83 4625.64 262.23 o 6 2 0 17622.49 19104.14 1067.06 o 7 2 0 1794.35 2254.23 170.42 o 8 2 0 17956.51 21558.88 982.87 o 9 2 0 5574.15 6148.59 364.00 o 10 2 0 15517.17 17686.38 984.37 o 11 2 0 299.56 293.97 362.02 o 12 2 0 6656.61 6914.89 913.54 o 13 2 0 373.88 -88.67 414.33 o 1 3 0 12883.28 10666.80 1419.96 o 2 3 0 15203.73 12736.91 2737.76 o 3 3 0 5295.57 3861.00 599.86 o 4 3 0 7019.70 7356.31 325.89 o 5 3 0 4859.42 5133.97 190.76 o 6 3 0 1344.16 1396.86 140.16 o 7 3 0 2621.28 2947.42 198.40 o 8 3 0 184.28 322.66 193.48 o 9 3 0 4913.72 5219.65 319.49 o 10 3 0 1134.49 1160.54 303.69 o 11 3 0 322.57 208.16 297.28 o 12 3 0 928.83 904.00 434.10 o 13 3 0 1413.24 853.41 455.89 o 0 4 0 26627.46 23703.04 7412.46 o 1 4 0 7420.43 5454.46 1350.13 o 2 4 0 54613.59 53535.82 2302.09 o 3 4 0 161.49 224.92 66.36 o 4 4 0 49302.30 41248.65 7300.70 o 5 4 0 115.37 159.39 112.80 o 6 4 0 2686.75 2145.60 527.27 o 7 4 0 4562.67 4618.27 295.30 o 8 4 0 24956.77 24094.60 620.48 o 9 4 0 1071.47 1221.48 304.17 o 10 4 0 10478.97 10268.48 529.91 o 11 4 0 1905.44 1502.35 344.45 o 12 4 0 6705.11 5587.36 606.65 o 13 4 0 17.25 -65.21 572.66 o 1 5 0 23164.91 22621.47 1069.51 o 2 5 0 4954.80 5101.39 260.76 o 3 5 0 8537.74 7591.45 536.02 o 4 5 0 6880.99 7108.18 289.69 o 5 5 0 14563.41 9639.39 3215.83 o 6 5 0 7672.39 7410.36 349.85 o 7 5 0 14904.93 14262.11 527.98 o 8 5 0 1716.79 1637.03 394.22 o 9 5 0 2408.48 2005.46 341.22 o 10 5 0 10.82 120.21 291.46 o 11 5 0 3187.18 3333.50 425.93 o 12 5 0 1001.65 648.80 363.24 o 0 6 0 28597.58 28705.91 2066.94 o 1 6 0 210.89 167.39 119.07 o 2 6 0 5988.31 5877.89 295.42 o 3 6 0 1448.21 1453.41 141.82 o 4 6 0 585.18 404.36 126.78 o 5 6 0 436.40 478.74 165.20 o 6 6 0 27549.37 25756.52 641.67 o 7 6 0 435.31 538.39 275.74 o 8 6 0 3086.23 2992.57 370.26 o 9 6 0 521.44 222.15 291.99 o 10 6 0 6185.03 6189.65 592.60 o 11 6 0 1145.56 462.18 352.38 o 12 6 0 6271.37 7023.62 986.50 o 1 7 0 12108.97 12241.80 694.10 o 2 7 0 197.68 295.95 143.78 o 3 7 0 7828.59 7613.51 378.15 o 4 7 0 1336.74 1261.31 184.51 o 5 7 0 21705.35 20591.97 594.32 o 6 7 0 681.09 321.24 272.26 o 7 7 0 6526.87 5885.48 441.98 o 8 7 0 499.20 363.16 292.92 o 9 7 0 9153.62 8503.50 536.45 o 10 7 0 1471.91 1024.58 366.50 o 11 7 0 10653.09 10683.59 1100.12 o 0 8 0 22.40 49.34 204.39 o 1 8 0 852.15 738.70 159.01 o 2 8 0 5492.89 5916.39 307.25 o 3 8 0 943.18 961.46 185.32 o 4 8 0 3245.78 3112.43 345.93 o 5 8 0 1845.39 1660.05 313.81 o 6 8 0 732.90 626.65 295.23 o 7 8 0 134.28 -3.37 279.71 o 8 8 0 4306.14 3698.62 422.20 o 9 8 0 5.77 34.11 326.97 o 10 8 0 934.26 973.58 672.73 o 1 9 0 5092.52 5460.46 300.23 o 2 9 0 2061.35 2113.26 229.87 o 3 9 0 24271.59 25057.70 1074.47 o 4 9 0 1433.78 1540.36 319.03 o 5 9 0 2556.33 2659.04 365.04 o 6 9 0 426.11 245.48 297.24 o 7 9 0 13531.22 12733.19 614.39 o 8 9 0 192.14 27.74 332.57 o 0 10 0 388.55 414.92 328.71 o 1 10 0 157.82 216.02 220.20 o 2 10 0 244.15 775.60 279.98 o 3 10 0 1949.69 2288.87 347.11 o 4 10 0 747.69 1034.06 324.13 o 5 10 0 67.15 -51.21 299.72 o 6 10 0 12.56 -25.36 318.59 o 7 10 0 716.88 903.89 372.72 o 1 11 0 7649.83 8618.58 553.54 o 2 11 0 302.31 635.96 397.48 o 3 11 0 6579.29 8173.51 803.46 o 4 11 0 1532.28 1751.71 383.08 o 5 11 0 8825.91 9482.00 606.19 o 6 11 0 40.12 -508.10 524.24 o 0 12 0 20.06 186.58 610.10 o 1 12 0 734.70 619.14 624.31 o 2 12 0 85.74 3.97 415.38 o 3 12 0 108.37 321.51 588.80 o -11 0 1 33.72 -323.52 323.52 o -9 0 1 2891.32 3381.12 307.33 o -7 0 1 6946.52 8223.71 627.13 o -5 0 1 440.01 379.19 140.13 o -3 0 1 108451.73 136882.98 8138.59 o -1 0 1 10394.82 7414.85 2857.34 o 1 0 1 7546.90 8219.39 167.87 o 3 0 1 53660.43 59790.96 1496.89 o 5 0 1 1430.48 1718.19 172.99 o 7 0 1 2938.40 3251.69 263.07 o 9 0 1 13330.24 14969.79 616.04 o 11 0 1 6.81 167.21 459.03 o -13 1 1 16962.75 16701.99 1225.37 o -12 1 1 453.54 -73.07 380.35 o -11 1 1 13277.34 14716.64 790.50 o -10 1 1 1442.67 1436.56 222.70 o -9 1 1 26269.62 30581.84 1036.34 o -8 1 1 119.86 63.05 153.34 o -7 1 1 17385.91 20401.03 736.30 o -6 1 1 2098.44 2563.77 150.05 o -5 1 1 18537.51 21359.55 736.36 o -4 1 1 28.58 142.90 68.48 o -3 1 1 35615.09 38280.73 4550.17 o -2 1 1 182.37 327.84 52.15 o -1 1 1 26571.93 28190.20 1253.24 o 0 1 1 1165.61 1206.42 47.73 o 1 1 1 37745.27 37529.84 2470.27 o 2 1 1 13565.46 14399.35 610.85 o 3 1 1 39288.04 43611.79 1884.57 o 4 1 1 590.12 669.60 88.21 o 5 1 1 33183.31 33648.52 3845.31 o 6 1 1 1051.36 1226.05 133.05 o 7 1 1 22159.36 25623.40 867.38 o 8 1 1 4287.13 4682.52 274.25 o 9 1 1 19976.12 21924.04 610.14 o 10 1 1 1719.61 1789.54 310.92 o 11 1 1 15969.75 18533.71 1299.07 o 12 1 1 37.76 109.75 506.81 o -13 2 1 355.79 22.60 654.01 o -12 2 1 132.11 301.27 376.37 o -11 2 1 757.61 505.47 285.66 o -10 2 1 2515.27 2642.86 287.27 o -9 2 1 2574.85 3014.74 206.99 o -8 2 1 3973.55 4455.18 228.94 o -7 2 1 143.29 255.80 135.34 o -6 2 1 30.65 65.57 107.86 o -5 2 1 36314.57 42833.71 2583.93 o -4 2 1 8542.41 8046.54 1346.83 o -3 2 1 6163.85 7424.43 291.26 o -2 2 1 3783.35 2433.25 684.21 o -1 2 1 33025.53 33439.79 1965.03 o 0 2 1 1674.43 1759.42 93.31 o 1 2 1 21870.03 21019.52 292.75 o 2 2 1 24598.16 17455.76 5883.17 o 3 2 1 2250.22 1806.55 269.12 o 4 2 1 3481.47 3577.03 175.45 o 5 2 1 14424.94 15693.78 603.71 o 6 2 1 13715.19 14720.61 834.61 o 7 2 1 13018.89 14673.43 686.25 o 8 2 1 13294.45 13765.96 590.48 o 9 2 1 141.68 171.77 203.59 o 10 2 1 372.20 204.66 215.01 o 11 2 1 9670.53 9617.55 657.13 o 12 2 1 2706.79 2239.64 487.40 o 13 2 1 441.73 -371.23 521.65 o -13 3 1 8516.66 8322.19 867.06 o -12 3 1 14.74 -73.24 304.41 o -11 3 1 13356.63 13461.87 681.23 o -10 3 1 301.15 296.46 273.24 o -9 3 1 4797.62 4307.03 369.28 o -8 3 1 6018.79 6367.57 257.64 o -7 3 1 31144.13 33283.64 1092.84 o -6 3 1 40.53 -29.76 103.30 o -5 3 1 27270.81 26275.57 3507.57 o -4 3 1 284.38 306.40 90.97 o -3 3 1 11046.67 10269.09 1054.72 o -2 3 1 591.13 336.16 163.74 o -1 3 1 74872.73 66226.16 8494.45 o 0 3 1 19554.22 17417.46 2314.38 o 1 3 1 18385.94 14285.02 1922.23 o 2 3 1 4077.10 4022.15 161.58 o 3 3 1 34249.09 33413.53 1008.28 o 4 3 1 3326.98 3212.07 144.71 o 5 3 1 31110.51 31072.12 961.03 o 6 3 1 11505.84 11522.07 658.37 o 7 3 1 12905.26 13744.55 642.74 o 8 3 1 86.30 31.68 191.04 o 9 3 1 17194.83 18136.54 797.95 o 10 3 1 2306.85 2354.88 347.42 o 11 3 1 3748.60 3183.30 499.83 o 12 3 1 338.09 -4.89 403.50 o 13 3 1 5747.33 5589.92 646.93 o -13 4 1 554.55 519.72 601.71 o -12 4 1 10886.51 10835.56 606.77 o -11 4 1 5706.29 5485.46 945.37 o -10 4 1 3766.26 3153.28 376.31 o -9 4 1 22.92 -226.71 258.73 o -8 4 1 5859.08 5487.44 393.23 o -7 4 1 9291.63 9638.61 279.50 o -6 4 1 4565.99 3609.38 644.46 o -5 4 1 4664.01 4277.82 214.75 o -4 4 1 1176.38 1076.17 113.82 o -3 4 1 10452.03 9815.88 944.27 o -2 4 1 14775.95 14231.28 700.16 o -1 4 1 5846.25 5764.52 351.77 o 0 4 1 13902.23 10028.24 2491.00 o 1 4 1 11445.72 10734.01 462.73 o 2 4 1 209.49 257.05 80.54 o 3 4 1 160.42 165.82 82.13 o 4 4 1 73680.58 73433.95 1043.71 o 5 4 1 4796.93 2126.98 1170.01 o 6 4 1 982.57 1094.56 203.98 o 7 4 1 684.08 718.80 209.51 o 8 4 1 6957.70 7119.15 352.26 o 9 4 1 3544.50 3035.96 366.94 o 10 4 1 12954.03 11972.77 555.05 o 11 4 1 1337.66 900.00 335.70 o 12 4 1 1659.81 752.69 454.29 o -12 5 1 774.96 217.56 344.63 o -11 5 1 6045.05 5701.45 537.64 o -10 5 1 1488.61 1256.34 325.28 o -9 5 1 22094.04 19816.44 631.65 o -8 5 1 181.50 248.47 266.09 o -7 5 1 3279.62 3020.59 293.38 o -6 5 1 45.77 47.15 170.42 o -5 5 1 18735.38 13298.90 4321.80 o -4 5 1 952.59 212.47 237.96 o -3 5 1 38167.36 31686.71 4364.86 o -2 5 1 4093.21 3588.36 503.67 o -1 5 1 3229.28 3067.30 152.98 o 0 5 1 12573.34 12117.26 630.66 o 1 5 1 50020.68 48331.73 2150.45 o 2 5 1 2031.08 2237.42 130.37 o 3 5 1 12046.64 11467.60 418.44 o 4 5 1 9537.12 5235.60 2357.33 o 5 5 1 3438.70 2918.48 547.94 o 6 5 1 6199.17 6092.47 325.97 o 7 5 1 13886.89 13364.08 671.03 o 8 5 1 333.55 319.73 273.03 o 9 5 1 1201.13 930.28 300.63 o 10 5 1 369.40 368.86 305.21 o 11 5 1 3955.57 3786.44 451.01 o 12 5 1 2214.92 2028.81 534.33 o -12 6 1 4891.88 4903.64 801.53 o -11 6 1 47.18 -69.80 328.89 o -10 6 1 7400.81 6103.17 490.93 o -9 6 1 4852.09 4620.55 427.85 o -8 6 1 9246.06 8149.19 491.31 o -7 6 1 3400.75 3442.70 361.82 o -6 6 1 14463.89 13714.47 421.56 o -5 6 1 316.62 320.89 169.67 o -4 6 1 9532.30 9344.46 395.58 o -3 6 1 11394.97 11103.82 584.82 o -2 6 1 15349.65 14764.05 909.42 o -1 6 1 1397.40 1400.67 143.56 o 0 6 1 7896.92 7842.22 452.43 o 1 6 1 1500.94 1554.26 145.58 o 2 6 1 17448.89 17389.45 718.50 o 3 6 1 11481.74 8583.93 1844.43 o 4 6 1 10275.16 9552.52 382.08 o 5 6 1 467.42 520.58 197.57 o 6 6 1 19398.42 18662.77 460.56 o 7 6 1 910.74 899.16 283.99 o 8 6 1 3757.68 3418.77 379.31 o 9 6 1 2780.15 2305.58 366.90 o 10 6 1 8483.93 8245.45 672.98 o 11 6 1 602.97 448.58 353.12 o -11 7 1 2986.93 3391.50 552.38 o -10 7 1 60.97 -299.71 320.93 o -9 7 1 484.72 512.42 316.89 o -8 7 1 3181.76 2969.73 378.90 o -7 7 1 9174.68 8224.54 491.67 o -6 7 1 373.26 78.59 256.94 o -5 7 1 7927.04 7504.74 368.77 o -4 7 1 548.55 500.04 209.59 o -3 7 1 6563.66 6270.99 358.50 o -2 7 1 7239.32 7055.47 399.89 o -1 7 1 20701.09 20946.93 1006.21 o 0 7 1 15.56 -59.78 137.42 o 1 7 1 3989.48 4332.28 213.39 o 2 7 1 12119.16 11994.01 539.49 o 3 7 1 10227.67 9403.06 328.35 o 4 7 1 3771.57 3871.14 279.09 o 5 7 1 9122.54 8313.08 372.17 o 6 7 1 5.46 -23.34 259.48 o 7 7 1 744.57 525.99 312.00 o 8 7 1 7729.41 6979.05 487.15 o 9 7 1 1255.95 871.20 337.25 o 10 7 1 1295.21 1148.85 376.14 o 11 7 1 2355.52 1543.01 712.11 o -10 8 1 5637.02 5403.31 516.28 o -9 8 1 562.53 273.68 334.72 o -8 8 1 12727.33 12175.99 590.90 o -7 8 1 320.86 169.61 285.15 o -6 8 1 9245.88 9058.39 526.16 o -5 8 1 1101.36 1171.37 292.05 o -4 8 1 20413.83 20377.82 519.33 o -3 8 1 342.60 331.17 205.14 o -2 8 1 8151.43 8486.61 433.38 o -1 8 1 133.43 75.08 141.73 o 0 8 1 33918.85 35365.33 1623.51 o 1 8 1 2904.14 3107.45 233.96 o 2 8 1 18659.51 18508.82 820.16 o 3 8 1 515.44 387.85 197.83 o 4 8 1 9311.95 8850.35 390.52 o 5 8 1 1833.20 1608.95 314.19 o 6 8 1 9337.24 9463.53 518.63 o 7 8 1 5.72 -278.52 278.52 o 8 8 1 12552.83 11548.59 598.42 o 9 8 1 357.89 291.30 342.10 o -9 9 1 969.23 -135.58 599.13 o -8 9 1 102.11 -70.67 328.29 o -7 9 1 2704.12 2812.14 401.21 o -6 9 1 3830.76 3879.98 416.59 o -5 9 1 299.03 489.06 286.92 o -4 9 1 2788.94 3145.87 305.12 o -3 9 1 628.22 569.00 229.83 o -2 9 1 155.21 302.18 213.90 o -1 9 1 2547.56 2766.85 240.48 o 0 9 1 5922.98 6571.87 322.85 o 1 9 1 1269.29 1554.91 219.54 o 2 9 1 696.04 689.37 196.78 o 3 9 1 777.38 1034.95 288.15 o 4 9 1 859.71 658.29 287.94 o 5 9 1 1425.03 1168.93 325.65 o 6 9 1 2470.73 2404.06 378.10 o 7 9 1 301.85 546.74 331.02 o 8 9 1 478.18 288.37 345.98 o -7 10 1 25.85 -96.00 333.15 o -6 10 1 15906.54 17082.65 932.88 o -5 10 1 3.16 -218.50 286.71 o -4 10 1 8736.20 8738.20 527.72 o -3 10 1 83.02 -23.45 232.15 o -2 10 1 19019.02 20129.31 1094.02 o -1 10 1 84.36 178.95 266.98 o 0 10 1 6375.44 7098.28 407.55 o 1 10 1 512.39 530.22 205.90 o 2 10 1 13325.22 14537.13 1038.09 o 3 10 1 573.57 499.98 375.19 o 4 10 1 8148.22 8302.78 522.12 o 5 10 1 8.53 63.24 309.29 o 6 10 1 7254.26 7518.55 551.89 o 7 10 1 149.68 49.85 467.10 o -6 11 1 640.01 978.75 623.66 o -5 11 1 0.53 10.41 353.17 o -4 11 1 709.98 473.31 426.58 o -3 11 1 88.88 120.80 386.55 o -2 11 1 2742.03 3006.51 405.65 o -1 11 1 1644.00 1799.24 363.68 o 0 11 1 1341.77 1381.15 343.70 o 1 11 1 803.76 1482.33 641.09 o 2 11 1 609.74 776.90 409.58 o 3 11 1 269.00 496.60 326.16 o 4 11 1 1212.33 1318.13 368.73 o 5 11 1 120.04 -318.45 384.26 o -3 12 1 604.89 1400.98 676.60 o -2 12 1 5294.20 6612.20 799.91 o -1 12 1 150.19 28.98 432.26 o 0 12 1 7302.73 9245.17 1065.91 o 1 12 1 223.52 -357.67 603.65 o 3 12 1 42.47 -482.92 540.38 o -12 0 2 12960.50 13536.55 1061.39 o -10 0 2 653.65 758.16 256.18 o -8 0 2 87716.99 103237.14 5367.00 o -6 0 2 29221.58 33666.80 1476.06 o -4 0 2 13734.67 11676.94 4233.04 o -2 0 2 94066.45 98180.64 11208.48 o 0 0 2 32054.25 33491.41 1368.42 o 2 0 2 11616.44 11639.81 224.09 o 4 0 2 54872.83 48729.04 16699.96 o 6 0 2 1732.37 1809.08 209.72 o 8 0 2 36440.86 37977.25 810.27 o 10 0 2 2117.49 2274.58 726.64 o 12 0 2 1868.91 2147.31 624.95 o -14 1 2 3534.55 2141.50 808.31 o -13 1 2 230.37 628.18 688.22 o -12 1 2 13941.61 14088.04 992.63 o -11 1 2 240.37 271.96 240.88 o -10 1 2 15532.95 17046.78 495.38 o -9 1 2 2.65 276.90 160.41 o -8 1 2 7682.00 9098.26 329.24 o -7 1 2 809.52 1078.60 146.63 o -6 1 2 35275.64 40715.70 957.39 o -5 1 2 301.56 399.18 97.82 o -4 1 2 5144.63 3129.07 965.82 o -3 1 2 8431.54 9348.38 349.02 o -2 1 2 6069.74 6475.44 392.21 o -1 1 2 2524.45 1839.51 397.72 o 0 1 2 18753.80 15961.96 2358.34 o 1 1 2 6095.66 6031.15 185.31 o 2 1 2 26091.96 21193.25 4194.43 o 3 1 2 13143.23 11272.23 1870.97 o 4 1 2 32832.93 34976.25 1021.59 o 5 1 2 1426.35 1022.40 277.69 o 6 1 2 18196.55 19069.34 570.65 o 7 1 2 1124.52 1223.53 186.67 o 8 1 2 31789.59 32722.98 917.62 o 9 1 2 399.31 352.06 252.42 o 10 1 2 15431.22 16651.70 1051.68 o 11 1 2 220.47 -247.90 270.37 o 12 1 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