#------------------------------------------------------------------------------ #$Date: 2011-09-16 18:46:08 +0300 (Fri, 16 Sep 2011) $ #$Revision: 26025 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/2210016.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_2210016_Fobs loop_ _publ_author_name 'Ettis, Hasna' 'Na\"ili, Houcine' 'Mhiri, Tahar' _publ_section_title ; RbGd(PO~3~)~4~ ; _journal_issue 8 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i166 _journal_page_last i168 _journal_volume 62 _journal_year 2006 _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 106.168 _cell_angle_gamma 90.000 _cell_length_a 10.3853 _cell_length_b 8.9761 _cell_length_c 11.0082 _exptl_crystal_F_000 1028.00 _reflns_d_resolution_high 0.7836 _[local]_cod_data_source_file wm2023Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' sfax60 in P 21/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 389.31 _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 6087.13 6036.44 113.39 o 4 0 0 41968.78 39999.25 440.47 o 6 0 0 78136.59 77126.78 786.59 o 8 0 0 4537.50 4129.04 195.78 o 10 0 0 6466.03 6330.92 298.35 o 12 0 0 12871.68 14072.23 480.64 o 3 1 0 3799.82 3579.58 77.47 o 4 1 0 9869.72 9666.08 144.09 o 5 1 0 14833.07 14838.45 200.86 o 6 1 0 612.76 638.05 60.78 o 7 1 0 3241.18 3013.64 233.50 o 8 1 0 112.70 61.06 51.81 o 9 1 0 773.72 807.76 53.20 o 10 1 0 130.32 130.46 77.12 o 11 1 0 678.64 596.25 42.92 o 12 1 0 276.85 194.88 140.69 o 0 2 0 7506.90 8050.29 138.54 o 1 2 0 2894.41 3150.41 92.91 o 3 2 0 278.41 205.44 19.53 o 4 2 0 53481.40 54632.66 572.52 o 5 2 0 2878.88 2812.15 132.65 o 6 2 0 14543.21 13456.50 305.25 o 7 2 0 1691.32 1650.44 131.66 o 8 2 0 15093.71 14508.25 378.56 o 9 2 0 7613.69 6989.15 291.07 o 10 2 0 12836.71 12500.00 403.23 o 11 2 0 551.84 670.84 78.54 o 12 2 0 6496.38 6084.97 336.60 o 1 3 0 11718.11 11734.42 208.11 o 2 3 0 16735.27 17511.47 267.71 o 3 3 0 3600.11 3267.80 125.77 o 4 3 0 6139.44 6325.83 194.95 o 5 3 0 4358.63 4134.45 175.87 o 6 3 0 2322.50 2213.91 139.34 o 7 3 0 3124.41 3397.65 183.57 o 8 3 0 78.05 43.66 82.63 o 9 3 0 2991.63 2790.62 195.09 o 10 3 0 281.87 314.31 49.10 o 11 3 0 621.32 730.73 99.95 o 12 3 0 528.61 640.12 69.82 o 0 4 0 18115.96 18337.04 297.80 o 1 4 0 8902.96 9442.29 213.57 o 2 4 0 49945.90 48788.43 552.55 o 3 4 0 38.11 4.93 54.45 o 4 4 0 41338.36 39819.93 540.08 o 5 4 0 406.11 381.99 33.40 o 6 4 0 983.40 1412.69 118.88 o 7 4 0 5892.49 5756.85 249.46 o 8 4 0 23941.21 23512.80 521.12 o 9 4 0 1017.29 998.83 108.39 o 10 4 0 7815.37 7786.79 347.81 o 11 4 0 2938.31 2859.20 238.29 o 1 5 0 18856.98 18432.60 342.11 o 2 5 0 3666.25 4175.73 161.96 o 3 5 0 7463.03 7635.37 226.93 o 4 5 0 5300.49 5240.04 197.98 o 5 5 0 11521.40 11948.95 325.21 o 6 5 0 6970.42 7161.03 274.31 o 7 5 0 14748.69 15122.33 418.72 o 8 5 0 960.99 855.93 63.38 o 9 5 0 1538.25 1398.20 135.74 o 10 5 0 40.48 -51.87 139.41 o 11 5 0 2289.50 2428.46 226.81 o 0 6 0 28263.05 28368.24 466.29 o 1 6 0 88.33 19.25 63.62 o 2 6 0 3302.87 3325.75 169.71 o 3 6 0 1889.34 2042.19 137.49 o 4 6 0 422.35 580.85 62.08 o 5 6 0 679.98 857.64 93.46 o 6 6 0 26763.82 26668.84 549.34 o 7 6 0 178.30 157.10 116.24 o 8 6 0 1960.06 1835.96 161.75 o 9 6 0 680.43 851.60 72.93 o 10 6 0 7207.08 7638.25 367.08 o 1 7 0 10337.71 10545.47 308.38 o 2 7 0 568.55 611.36 53.42 o 3 7 0 8466.21 8110.85 278.69 o 4 7 0 708.76 802.55 70.86 o 5 7 0 19045.48 19237.00 468.01 o 6 7 0 664.63 700.26 59.53 o 7 7 0 4929.98 4637.94 266.45 o 8 7 0 467.62 609.52 69.34 o 9 7 0 10505.94 11848.31 460.27 o 10 7 0 1169.50 1464.62 159.96 o 0 8 0 220.70 225.02 88.55 o 1 8 0 1335.01 1584.72 133.85 o 2 8 0 4831.73 5003.58 241.80 o 3 8 0 1785.79 1809.66 173.09 o 4 8 0 1905.31 1750.98 137.18 o 5 8 0 1545.82 1481.85 138.60 o 6 8 0 857.00 1017.06 109.00 o 7 8 0 174.69 135.01 123.27 o 8 8 0 4080.05 4743.58 286.82 o 9 8 0 74.50 -162.42 162.42 o 1 9 0 4095.07 4383.34 242.60 o 2 9 0 2140.72 2047.46 183.66 o 3 9 0 23641.23 22601.52 562.47 o 4 9 0 1678.81 2007.43 186.10 o 5 9 0 2407.30 2285.65 212.37 o 6 9 0 429.01 116.33 156.76 o 7 9 0 13041.16 13183.41 475.74 o 0 10 0 104.09 109.39 113.15 o 1 10 0 354.07 342.81 122.42 o 2 10 0 352.57 342.10 56.86 o 3 10 0 2569.98 2906.35 234.24 o 4 10 0 1020.34 990.08 99.15 o 5 10 0 35.81 251.11 123.21 o 6 10 0 22.71 176.00 134.23 o 1 11 0 9105.33 8490.20 387.88 o 2 11 0 411.01 513.21 60.39 o 3 11 0 6623.62 6435.17 354.32 o -11 0 1 220.03 170.27 94.18 o -9 0 1 1916.06 1824.10 154.81 o -7 0 1 6859.97 6168.07 211.41 o -5 0 1 645.52 467.27 49.77 o -3 0 1 102369.34 110292.44 734.96 o -1 0 1 8450.75 9433.68 113.26 o 1 0 1 5872.53 5839.00 103.69 o 3 0 1 45941.21 45500.01 450.37 o 5 0 1 266.64 233.47 29.62 o 7 0 1 3732.78 3426.22 166.12 o 9 0 1 8281.82 8039.25 305.93 o 11 0 1 87.77 -12.44 108.68 o -12 1 1 1243.51 1411.89 104.96 o -11 1 1 10193.77 9833.04 262.11 o -10 1 1 2584.85 2651.93 132.97 o -9 1 1 20115.41 19598.34 318.20 o -8 1 1 74.19 37.95 51.37 o -7 1 1 12190.58 11808.39 210.00 o -6 1 1 3490.07 3601.24 195.86 o -5 1 1 11341.48 10972.30 328.88 o -4 1 1 297.87 341.54 22.67 o -3 1 1 29006.52 29583.01 763.90 o -1 1 1 17090.72 18202.30 326.68 o 0 1 1 1170.69 1270.43 39.16 o 1 1 1 28765.25 27089.92 321.42 o 3 1 1 30669.41 29405.54 804.94 o 4 1 1 75.81 118.93 24.30 o 5 1 1 26260.44 24483.37 275.21 o 6 1 1 695.02 726.38 90.25 o 7 1 1 18751.96 17961.51 275.79 o 8 1 1 3634.70 3504.12 135.11 o 9 1 1 16797.00 16136.26 304.60 o 10 1 1 1873.50 2024.70 129.20 o 11 1 1 16352.90 16379.85 834.58 o 12 1 1 166.44 99.29 95.93 o -12 2 1 35.57 80.97 123.68 o -11 2 1 459.04 417.94 139.63 o -10 2 1 1465.81 1418.47 131.72 o -9 2 1 3272.30 3059.12 199.26 o -8 2 1 5442.70 5134.27 226.19 o -7 2 1 243.28 241.55 29.37 o -6 2 1 103.23 17.38 60.58 o -5 2 1 34001.19 33629.77 454.68 o -4 2 1 7137.12 6875.55 179.19 o -3 2 1 7125.47 7023.30 163.16 o -2 2 1 3962.01 3945.83 115.34 o -1 2 1 30509.73 32952.83 320.29 o 0 2 1 1008.32 1133.31 58.53 o 1 2 1 17598.12 16944.76 225.61 o 2 2 1 22359.78 21499.95 285.59 o 3 2 1 2083.57 1940.86 98.11 o 4 2 1 5039.55 4848.50 164.87 o 5 2 1 12911.58 12080.00 280.81 o 6 2 1 14567.53 13296.63 316.98 o 7 2 1 10003.90 9227.46 289.74 o 8 2 1 11183.16 10922.85 338.63 o 9 2 1 26.05 60.31 81.67 o 10 2 1 383.25 391.99 48.88 o 11 2 1 7657.98 7062.40 338.54 o 12 2 1 2980.98 3138.64 249.37 o -12 3 1 0.96 -137.04 137.04 o -11 3 1 11833.94 11762.40 420.72 o -10 3 1 427.87 283.01 117.29 o -9 3 1 3562.53 3685.46 218.24 o -8 3 1 5432.86 4803.96 232.21 o -7 3 1 21872.14 21280.30 437.23 o -6 3 1 14.33 12.67 67.59 o -5 3 1 22896.44 21812.77 377.89 o -4 3 1 366.94 318.38 41.18 o -3 3 1 6368.38 6745.83 173.73 o -2 3 1 546.61 715.12 57.80 o -1 3 1 64008.99 68658.51 581.78 o 0 3 1 17078.80 17410.76 428.67 o 1 3 1 14581.29 13913.93 232.83 o 2 3 1 4445.00 4385.06 137.03 o 3 3 1 29936.12 29469.96 405.64 o 4 3 1 3364.26 3415.86 155.66 o 5 3 1 24074.50 23279.94 424.23 o 6 3 1 9130.75 8692.37 272.60 o 7 3 1 12433.16 12357.58 345.02 o 8 3 1 173.54 223.10 91.12 o 9 3 1 16857.92 16100.71 455.69 o 10 3 1 2141.62 2151.66 166.08 o 11 3 1 2020.64 1965.00 178.68 o -12 4 1 9786.45 9368.61 424.13 o -11 4 1 5690.07 5102.60 299.05 o -10 4 1 3529.16 3864.07 234.27 o -9 4 1 28.54 92.00 95.28 o -8 4 1 3526.55 3193.54 200.94 o -7 4 1 7757.02 7552.64 265.87 o -6 4 1 4066.48 4184.18 196.86 o -5 4 1 4652.51 4436.32 189.29 o -4 4 1 810.87 929.29 92.01 o -3 4 1 9037.26 10188.28 238.31 o -2 4 1 11204.47 12068.99 245.18 o -1 4 1 4717.26 5305.20 158.98 o 0 4 1 12385.77 12664.87 175.53 o 1 4 1 10510.96 10186.26 228.03 o 2 4 1 27.25 146.22 49.29 o 3 4 1 21.43 107.02 53.74 o 4 4 1 76708.77 73491.34 794.29 o 5 4 1 4001.59 4120.09 185.00 o 6 4 1 149.37 104.50 90.65 o 7 4 1 83.10 81.93 93.19 o 8 4 1 8046.10 8279.78 314.99 o 9 4 1 3147.48 2953.94 205.75 o 10 4 1 11265.51 10382.35 417.78 o 11 4 1 801.66 778.65 90.12 o -11 5 1 4696.39 4376.50 291.43 o -10 5 1 1724.58 1671.74 153.26 o -9 5 1 18702.45 17701.78 499.45 o -8 5 1 323.85 323.09 111.61 o -7 5 1 3743.30 3900.42 222.67 o -6 5 1 299.18 347.81 48.18 o -5 5 1 13326.82 13291.37 334.56 o -4 5 1 1111.15 1093.01 108.17 o -3 5 1 31802.00 31112.20 482.24 o -2 5 1 3317.08 3760.72 151.78 o -1 5 1 2324.02 2491.14 133.02 o 0 5 1 11977.75 12258.81 191.82 o 1 5 1 43957.37 40480.31 539.14 o 2 5 1 1467.28 1638.92 107.54 o 3 5 1 8612.67 8210.95 241.42 o 4 5 1 8722.51 8842.83 267.02 o 5 5 1 3982.40 4182.10 198.98 o 6 5 1 6040.89 5730.32 259.19 o 7 5 1 12155.09 12150.82 385.22 o 8 5 1 72.12 186.14 54.46 o 9 5 1 824.79 830.47 72.27 o 10 5 1 414.27 529.93 74.50 o 11 5 1 5044.12 5448.00 328.63 o -11 6 1 3.36 -73.92 159.10 o -10 6 1 6384.28 6307.04 324.65 o -9 6 1 4785.81 4684.60 296.91 o -8 6 1 8526.90 8457.38 341.53 o -7 6 1 4518.80 4338.69 241.30 o -6 6 1 13062.33 12842.41 366.69 o -5 6 1 985.58 1027.05 85.12 o -4 6 1 7895.30 7942.14 273.35 o -3 6 1 13035.92 13110.55 327.57 o -2 6 1 12637.33 13321.48 319.75 o -1 6 1 1172.82 1083.94 107.97 o 0 6 1 5981.34 5997.02 149.66 o 1 6 1 2055.42 1973.94 136.76 o 2 6 1 15296.20 15443.51 352.68 o 3 6 1 13009.36 12192.40 320.23 o 4 6 1 8939.21 8735.33 281.95 o 5 6 1 1355.71 1382.89 137.91 o 6 6 1 19919.09 19966.72 486.78 o 7 6 1 940.56 1171.47 118.25 o 8 6 1 2952.72 3065.65 225.71 o 9 6 1 1631.29 1666.54 169.96 o 10 6 1 9280.08 10135.67 432.40 o -10 7 1 108.29 286.62 165.96 o -9 7 1 460.03 434.12 168.53 o -8 7 1 3098.63 3238.98 249.97 o -7 7 1 7393.28 7396.36 320.93 o -6 7 1 976.55 1245.94 109.09 o -5 7 1 8061.40 8161.03 308.72 o -4 7 1 205.12 292.42 35.70 o -3 7 1 6148.63 6443.21 259.41 o -2 7 1 8053.85 8480.71 280.97 o -1 7 1 18373.03 18732.99 417.68 o 0 7 1 45.48 112.58 31.10 o 1 7 1 4180.47 4096.75 198.59 o 2 7 1 12044.14 11287.92 335.02 o 3 7 1 10320.50 10690.03 328.49 o 4 7 1 2793.55 2784.31 182.72 o 5 7 1 9687.81 9462.75 336.85 o 6 7 1 56.52 -10.56 107.73 o 7 7 1 626.01 627.34 80.45 o 8 7 1 7089.45 7557.99 359.86 o 9 7 1 1032.98 929.76 99.15 o -9 8 1 730.51 809.93 106.80 o -8 8 1 13746.29 14734.52 484.47 o -7 8 1 158.51 96.03 118.81 o -6 8 1 6585.57 6623.95 302.20 o -5 8 1 1016.97 1095.88 101.79 o -4 8 1 23091.55 21816.25 522.49 o -3 8 1 224.98 239.82 39.70 o -2 8 1 6192.02 6357.89 267.07 o -1 8 1 146.06 221.19 39.21 o 0 8 1 34741.00 33642.77 437.27 o 1 8 1 2969.36 3278.96 200.43 o 2 8 1 21094.50 21334.58 493.18 o 3 8 1 1111.64 1214.92 115.06 o 4 8 1 7324.15 7492.58 306.91 o 5 8 1 2410.78 2526.72 200.18 o 6 8 1 10510.33 11318.56 401.67 o 7 8 1 89.40 215.01 115.49 o 8 8 1 13499.79 14754.04 504.22 o -8 9 1 284.80 260.72 158.78 o -7 9 1 2703.46 2550.89 246.82 o -6 9 1 3765.13 3495.89 252.12 o -5 9 1 332.07 208.87 130.87 o -4 9 1 3048.53 2988.26 217.70 o -3 9 1 506.35 344.22 119.21 o -2 9 1 92.82 206.57 40.61 o -1 9 1 2845.96 3137.00 212.68 o 0 9 1 5101.95 5403.49 299.49 o 1 9 1 953.26 930.47 83.15 o 2 9 1 574.90 596.22 63.50 o 3 9 1 1264.06 1461.81 135.83 o 4 9 1 780.74 657.10 64.25 o 5 9 1 1170.24 1061.68 119.95 o 6 9 1 1567.23 1652.93 163.05 o 7 9 1 282.14 295.01 131.06 o -6 10 1 20494.94 21059.94 611.11 o -5 10 1 187.90 242.56 53.07 o -4 10 1 7875.47 7250.03 362.28 o -3 10 1 3.15 165.43 99.26 o -2 10 1 22044.29 21081.70 568.53 o -1 10 1 77.84 -24.41 110.79 o 0 10 1 6790.02 6753.58 226.31 o 1 10 1 1308.93 1366.44 145.49 o 2 10 1 13366.97 13336.65 465.58 o 3 10 1 179.44 65.04 138.54 o 4 10 1 9497.72 9944.07 400.75 o 5 10 1 2.98 70.40 108.41 o -3 11 1 62.07 232.12 121.34 o -2 11 1 3156.80 3328.12 252.62 o -1 11 1 1901.16 1822.98 172.66 o 0 11 1 1541.03 1650.69 111.47 o 1 11 1 1037.56 1278.04 110.68 o 2 11 1 327.63 345.56 140.95 o 3 11 1 166.91 88.75 140.40 o -12 0 2 12958.19 13175.69 455.53 o -10 0 2 1566.97 1387.00 122.35 o -8 0 2 75467.26 77683.47 896.36 o -6 0 2 25742.34 26218.91 408.95 o -4 0 2 8735.57 8928.39 189.57 o -2 0 2 87187.20 90559.75 610.01 o 0 0 2 28978.24 30406.16 397.47 o 2 0 2 10571.95 10153.91 189.31 o 4 0 2 47287.76 44838.68 523.59 o 6 0 2 1940.62 2000.17 126.48 o 8 0 2 38330.09 37377.89 637.50 o 10 0 2 750.38 658.71 62.83 o 12 0 2 2408.10 2447.26 183.57 o -13 1 2 272.91 319.32 136.93 o -12 1 2 12332.28 12115.05 306.93 o -11 1 2 541.10 609.29 88.30 o -10 1 2 13963.10 14048.43 305.74 o -9 1 2 213.04 194.89 65.74 o -8 1 2 5770.49 5718.66 160.67 o -7 1 2 1095.70 1198.58 78.15 o -6 1 2 31245.76 31328.34 324.16 o -5 1 2 262.80 327.21 23.51 o -4 1 2 3627.67 3280.26 148.97 o -3 1 2 6281.68 6671.19 106.67 o -2 1 2 3119.98 3296.05 67.56 o -1 1 2 2671.72 2896.66 100.65 o 0 1 2 14189.72 14652.54 219.58 o 1 1 2 5050.60 4991.20 113.68 o 2 1 2 18527.63 17776.99 241.90 o 3 1 2 13230.78 12732.56 428.29 o 4 1 2 27374.47 26744.56 1544.00 o 5 1 2 1837.18 1832.45 119.82 o 6 1 2 12414.38 11458.98 211.75 o 7 1 2 1434.53 1319.64 87.00 o 8 1 2 25679.05 24017.64 359.72 o 9 1 2 124.55 16.99 76.77 o 10 1 2 12288.46 11802.70 285.25 o 11 1 2 292.01 263.72 94.09 o 12 1 2 4354.05 4311.00 214.73 o -12 2 2 1332.42 1396.70 116.71 o -11 2 2 1963.59 1900.28 186.06 o -10 2 2 25736.64 24670.23 559.55 o -9 2 2 527.97 233.80 119.49 o -8 2 2 4862.83 4851.70 213.86 o -7 2 2 6977.61 6893.99 230.49 o -6 2 2 31609.63 31486.84 474.88 o -5 2 2 71.62 73.02 52.59 o -4 2 2 57836.10 60148.41 597.00 o -3 2 2 1170.32 1115.27 71.23 o -2 2 2 21041.31 21730.90 286.61 o -1 2 2 37867.47 36422.13 379.43 o 0 2 2 16594.29 15920.89 410.83 o 1 2 2 43160.20 40148.22 409.84 o 2 2 2 4714.96 4225.20 131.15 o 3 2 2 8076.62 8445.46 209.78 o 4 2 2 2433.11 2423.64 122.97 o 5 2 2 8394.25 8474.41 242.84 o 6 2 2 23426.30 22808.23 441.84 o 7 2 2 4248.52 4529.59 212.01 o 8 2 2 742.89 722.56 81.46 o 9 2 2 3348.92 3053.09 216.94 o 10 2 2 9393.23 9820.27 376.77 o 11 2 2 3392.35 3477.10 270.96 o -12 3 2 900.95 874.73 93.92 o -11 3 2 2926.99 2802.24 209.70 o -10 3 2 5295.34 5202.99 266.21 o -9 3 2 3699.90 3514.37 213.39 o -8 3 2 33891.96 33207.14 584.51 o -7 3 2 4313.59 3998.26 195.57 o -6 3 2 19.66 75.10 72.05 o -5 3 2 7728.48 7166.91 216.90 o -4 3 2 19143.44 19203.76 331.86 o -3 3 2 1546.12 1506.60 94.39 o -2 3 2 32929.62 32526.50 402.59 o -1 3 2 1721.30 1755.46 88.80 o 0 3 2 1967.23 1877.65 65.12 o 1 3 2 3770.86 3607.28 123.39 o 2 3 2 23656.35 23335.03 343.88 o 3 3 2 24.24 38.49 55.86 o 4 3 2 25885.59 25976.53 428.99 o 5 3 2 1056.59 941.14 76.74 o 6 3 2 25431.85 25367.99 487.84 o 7 3 2 1645.85 1736.78 145.44 o 8 3 2 4735.06 4359.38 241.60 o 9 3 2 483.81 515.36 50.78 o 10 3 2 3443.44 3491.39 245.02 o 11 3 2 349.36 344.19 58.03 o -12 4 2 4585.64 4732.22 304.82 o -11 4 2 1949.72 2125.68 204.18 o -10 4 2 6702.11 6727.65 311.24 o -9 4 2 6373.74 6034.56 271.68 o -8 4 2 3210.64 3061.20 190.21 o -7 4 2 4420.74 4104.08 203.31 o -6 4 2 4667.34 4205.60 185.47 o -5 4 2 2828.16 2736.14 141.97 o -4 4 2 28061.49 27541.73 445.21 o -3 4 2 14077.15 13365.98 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