#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/28/2012857.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_2012857_Fobs loop_ _publ_author_name 'Beitone, Lionel' 'Loiseau, Thierry' 'Ferey, Gerard' _publ_section_title ; Rb(GaPO~4~)~2~(OH)(H~2~O)·H~2~O: a hydrated rubidium gallium phosphate analogue of GaPO~4~·2H~2~O and leucophosphite ; _journal_issue 8 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i103 _journal_page_last i105 _journal_volume 58 _journal_year 2002 _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _exptl_crystal_F_000 888.00 _[local]_cod_data_source_file br1379Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' lb461 in P2(1)/n' _shelx_refln_list_code 4 _shelx_f_calc_maximum 254.48 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries 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 0 791.23 668.40 38.69 o 4 0 0 6645.98 7092.43 223.79 o 6 0 0 1057.66 1422.89 64.64 o 8 0 0 4941.81 4950.82 167.22 o 10 0 0 24495.45 24101.25 537.56 o 12 0 0 1272.22 1373.59 53.04 o 1 1 0 3247.42 3928.64 69.30 o 2 1 0 16511.22 18150.31 239.60 o 3 1 0 15837.46 15507.61 261.63 o 4 1 0 6476.89 5901.66 91.38 o 5 1 0 1514.18 1395.54 34.77 o 6 1 0 2736.73 2590.76 69.19 o 7 1 0 4830.67 4548.60 92.21 o 8 1 0 289.83 286.25 25.55 o 9 1 0 4851.04 4857.39 118.32 o 10 1 0 1564.89 1528.67 43.42 o 11 1 0 869.81 884.34 29.67 o 12 1 0 7742.89 7801.28 134.42 o 13 1 0 1467.55 1492.28 55.66 o 0 2 0 6663.93 7493.81 219.91 o 1 2 0 2347.05 2752.35 71.76 o 2 2 0 15172.80 16240.11 212.62 o 3 2 0 109.15 168.93 11.27 o 4 2 0 1762.81 1620.60 29.75 o 5 2 0 6510.23 6591.94 93.16 o 6 2 0 316.90 265.65 18.97 o 7 2 0 2798.39 2785.22 62.31 o 8 2 0 141.76 166.88 18.72 o 9 2 0 66.09 87.80 18.39 o 10 2 0 531.95 505.51 26.27 o 11 2 0 147.87 167.27 21.95 o 12 2 0 1174.50 1201.10 35.36 o 1 3 0 23654.53 24134.30 392.66 o 2 3 0 1309.13 1405.88 29.97 o 3 3 0 582.93 782.20 21.36 o 4 3 0 2058.83 2229.52 37.73 o 5 3 0 678.91 736.58 19.12 o 6 3 0 2388.97 2379.35 45.87 o 7 3 0 609.40 562.58 30.88 o 8 3 0 15.38 48.09 17.64 o 9 3 0 5283.07 5380.55 108.49 o 10 3 0 3.90 9.22 17.41 o 11 3 0 582.78 649.19 30.37 o 12 3 0 792.67 725.70 40.05 o 0 4 0 18323.55 18937.03 527.73 o 1 4 0 7432.66 7082.73 123.60 o 2 4 0 715.29 709.61 20.51 o 3 4 0 20516.01 20933.46 320.83 o 4 4 0 5147.38 5410.85 78.44 o 5 4 0 733.23 739.59 19.49 o 6 4 0 6660.25 6819.39 131.46 o 7 4 0 3761.98 3707.59 78.58 o 8 4 0 823.70 772.82 29.49 o 9 4 0 1250.31 1263.59 38.53 o 10 4 0 2930.13 2850.57 93.22 o 11 4 0 8005.96 7833.60 180.20 o 12 4 0 339.81 302.79 30.63 o 1 5 0 11454.89 11365.33 191.62 o 2 5 0 14240.59 14205.25 236.55 o 3 5 0 15917.25 15817.29 235.46 o 4 5 0 2744.00 2801.29 50.72 o 5 5 0 1874.31 1956.59 35.06 o 6 5 0 14813.75 14539.33 275.24 o 7 5 0 3666.01 3672.97 108.74 o 8 5 0 4124.79 4070.22 101.66 o 9 5 0 378.15 408.54 30.06 o 10 5 0 225.04 167.17 27.23 o 11 5 0 908.60 930.06 43.32 o 12 5 0 3532.88 3343.18 91.61 o 0 6 0 773.48 672.43 39.88 o 1 6 0 3171.52 3154.84 81.71 o 2 6 0 3364.01 3548.69 68.80 o 3 6 0 968.07 1053.07 29.74 o 4 6 0 12740.30 12570.69 189.81 o 5 6 0 6774.13 6585.37 112.24 o 6 6 0 2881.34 2977.57 62.22 o 7 6 0 1983.66 1849.61 56.86 o 8 6 0 199.11 228.32 26.68 o 9 6 0 179.68 204.85 26.43 o 10 6 0 33.49 43.23 23.40 o 11 6 0 785.59 709.79 38.97 o 1 7 0 4577.00 4437.73 99.78 o 2 7 0 14.31 56.13 21.07 o 3 7 0 2980.16 2990.87 60.75 o 4 7 0 9809.94 9180.07 158.31 o 5 7 0 3.16 13.01 14.89 o 6 7 0 4218.80 4074.44 80.40 o 7 7 0 315.68 335.67 28.60 o 8 7 0 4018.21 3897.17 99.60 o 9 7 0 2096.46 2166.55 65.87 o 10 7 0 733.96 750.19 39.86 o 0 8 0 4408.01 4004.07 130.42 o 1 8 0 598.07 605.97 28.53 o 2 8 0 2248.04 2218.98 58.61 o 3 8 0 25515.04 24719.39 404.10 o 4 8 0 1145.54 1212.89 35.03 o 5 8 0 146.51 197.48 18.97 o 6 8 0 773.30 853.01 29.66 o 7 8 0 3473.59 3814.21 97.68 o 8 8 0 1726.78 1954.38 61.43 o 9 8 0 47.50 45.33 24.85 o 10 8 0 565.90 674.98 39.39 o 1 9 0 4453.61 4351.98 99.61 o 2 9 0 774.93 828.41 33.79 o 3 9 0 2577.10 2587.33 87.27 o 4 9 0 148.10 212.20 19.78 o 5 9 0 9037.38 8731.50 152.40 o 6 9 0 3471.35 3530.71 73.04 o 7 9 0 74.93 86.29 24.81 o 8 9 0 1670.47 1647.84 56.15 o 9 9 0 2760.80 2660.50 77.11 o 0 10 0 149.75 205.04 33.71 o 1 10 0 258.51 275.76 25.08 o 2 10 0 39.80 35.85 20.70 o 3 10 0 1370.50 1292.99 42.87 o 4 10 0 4805.75 4743.96 123.02 o 5 10 0 0.38 5.80 16.97 o 6 10 0 1030.41 1181.56 36.76 o 7 10 0 490.90 594.87 35.74 o 8 10 0 882.90 730.83 56.92 o 1 11 0 264.78 339.92 27.16 o 2 11 0 154.90 136.62 23.55 o 3 11 0 426.99 525.97 30.36 o 4 11 0 664.16 598.26 32.13 o 5 11 0 247.96 295.03 26.67 o 6 11 0 5.31 12.00 19.72 o 0 12 0 4853.89 4216.14 140.22 o 1 12 0 871.12 844.16 37.09 o 2 12 0 121.32 92.93 24.76 o 3 12 0 2897.52 3001.06 76.95 o 4 12 0 955.81 955.43 54.09 o 5 12 0 106.49 113.29 26.40 o -11 0 1 3004.71 3085.05 101.31 o -9 0 1 16564.15 16280.21 431.09 o -7 0 1 0.51 31.53 19.32 o -5 0 1 7165.66 6656.39 213.23 o -3 0 1 17523.68 17508.10 304.84 o -1 0 1 2066.79 1993.62 62.75 o 1 0 1 3944.18 3645.91 84.61 o 3 0 1 14469.99 13494.52 277.52 o 5 0 1 15555.70 14376.41 433.61 o 7 0 1 3633.74 3440.90 123.85 o 9 0 1 298.73 346.31 40.91 o 11 0 1 399.37 394.14 33.03 o -12 1 1 25.83 30.91 25.27 o -11 1 1 265.60 252.20 20.31 o -10 1 1 2043.27 2051.32 45.48 o -9 1 1 480.06 467.42 21.28 o -8 1 1 7.00 21.27 16.36 o -7 1 1 25840.12 25498.74 451.28 o -6 1 1 8019.13 7787.04 123.48 o -5 1 1 8217.77 7811.41 108.51 o -4 1 1 371.89 436.78 14.62 o -3 1 1 7540.48 8071.22 111.45 o -2 1 1 11997.89 12555.42 168.44 o -1 1 1 9443.30 9846.63 161.66 o 0 1 1 16837.98 18334.08 270.52 o 1 1 1 1139.45 1312.15 27.58 o 2 1 1 2176.15 2495.88 44.09 o 3 1 1 5890.84 5401.18 110.99 o 4 1 1 291.80 261.40 13.71 o 5 1 1 3287.48 2914.91 59.25 o 6 1 1 5332.37 5028.03 118.66 o 7 1 1 392.64 450.74 28.12 o 8 1 1 6395.90 6068.82 141.41 o 9 1 1 6365.88 6117.99 121.06 o 10 1 1 324.22 333.09 24.13 o 11 1 1 600.11 628.38 30.69 o 12 1 1 1192.69 1205.64 46.49 o -13 2 1 870.10 897.20 66.10 o -12 2 1 833.26 855.90 44.19 o -11 2 1 5.92 51.84 17.85 o -10 2 1 602.01 641.81 24.87 o -9 2 1 798.20 787.06 29.75 o -8 2 1 131.11 131.21 18.09 o -7 2 1 19650.04 19373.99 346.58 o -6 2 1 4715.24 4714.00 69.57 o -5 2 1 4.43 31.40 10.37 o -4 2 1 8917.97 8605.63 118.61 o -3 2 1 27446.07 27919.98 364.16 o -2 2 1 3458.50 3359.32 58.33 o -1 2 1 22387.24 23401.34 342.52 o 0 2 1 624.16 737.18 22.68 o 1 2 1 8830.23 9323.87 142.17 o 2 2 1 6482.13 6980.01 97.63 o 3 2 1 7270.71 6845.41 104.66 o 4 2 1 13594.29 13559.41 197.52 o 5 2 1 12395.38 12600.90 184.44 o 6 2 1 447.13 412.53 21.59 o 7 2 1 28315.29 26861.98 475.47 o 8 2 1 138.72 159.96 19.58 o 9 2 1 3487.42 3500.80 76.46 o 10 2 1 1624.43 1673.53 46.24 o 11 2 1 620.50 641.67 31.59 o 12 2 1 1070.65 1137.87 59.95 o -12 3 1 676.67 656.16 39.48 o -11 3 1 27.18 30.85 16.41 o -10 3 1 2390.55 2420.95 58.53 o -9 3 1 5.46 15.49 16.69 o -8 3 1 1174.00 1217.95 36.26 o -7 3 1 968.37 984.82 31.70 o -6 3 1 18009.14 18010.70 238.80 o -5 3 1 24459.62 25480.14 333.61 o -4 3 1 430.28 476.19 31.00 o -3 3 1 5944.22 5572.98 89.37 o -2 3 1 38236.20 40912.42 591.60 o -1 3 1 13108.70 12814.24 213.77 o 0 3 1 3922.96 4293.60 84.11 o 1 3 1 3239.99 3230.38 62.49 o 2 3 1 21628.23 21889.31 321.09 o 3 3 1 578.69 539.35 21.52 o 4 3 1 17714.44 17143.59 227.48 o 5 3 1 27037.81 28040.28 366.25 o 6 3 1 3758.10 3653.41 115.91 o 7 3 1 2206.64 2101.18 51.13 o 8 3 1 3383.50 3548.17 83.69 o 9 3 1 6777.88 6665.37 130.97 o 10 3 1 409.72 371.95 30.52 o 11 3 1 1279.16 1161.43 50.36 o 12 3 1 1278.81 1348.29 54.80 o -11 4 1 3.63 -7.64 30.80 o -10 4 1 1416.81 1466.12 59.24 o -9 4 1 4262.33 4253.73 108.91 o -8 4 1 5776.61 5807.23 150.89 o -7 4 1 655.52 616.44 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29.63 o 4 5 1 1695.62 1666.70 31.25 o 5 5 1 130.45 163.98 14.66 o 6 5 1 4872.03 4866.68 92.40 o 7 5 1 2545.53 2488.24 87.36 o 8 5 1 10145.55 9562.62 213.07 o 9 5 1 70.54 90.38 23.65 o 10 5 1 48.53 48.74 24.63 o 11 5 1 56.50 90.88 28.12 o -11 6 1 0.84 -10.86 22.27 o -10 6 1 309.42 291.41 27.96 o -9 6 1 999.64 1015.95 41.86 o -8 6 1 104.14 97.88 23.32 o -7 6 1 1014.89 1067.58 40.94 o -6 6 1 4387.21 4290.93 65.23 o -5 6 1 473.01 484.21 19.11 o -4 6 1 22007.75 21695.60 319.53 o -3 6 1 315.43 372.57 19.45 o -2 6 1 2185.44 2120.81 63.71 o -1 6 1 147.69 126.71 18.76 o 0 6 1 8334.15 8439.62 175.08 o 1 6 1 4966.66 4757.92 87.80 o 2 6 1 647.88 669.36 23.82 o 3 6 1 3836.74 3665.40 70.83 o 4 6 1 4592.34 4784.57 88.62 o 5 6 1 54.62 85.85 24.87 o 6 6 1 3765.26 3750.21 74.76 o 7 6 1 19.35 27.94 21.33 o 8 6 1 2702.57 2651.34 169.01 o 9 6 1 192.30 253.05 28.70 o 10 6 1 12378.19 11856.60 298.09 o 11 6 1 1120.05 1231.53 82.11 o -11 7 1 785.90 881.51 42.35 o -10 7 1 131.93 127.83 27.72 o -9 7 1 3099.47 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8 1 1672.62 1812.41 42.96 o 5 8 1 5238.96 5299.68 132.81 o 6 8 1 1063.13 1027.83 32.76 o 7 8 1 175.99 168.73 26.59 o 8 8 1 462.36 407.81 32.17 o 9 8 1 45.75 87.45 25.43 o -9 9 1 280.13 326.46 31.37 o -8 9 1 669.14 671.43 36.91 o -7 9 1 151.41 160.39 26.04 o -6 9 1 64.96 73.26 17.69 o -5 9 1 297.18 318.05 22.43 o -4 9 1 8836.20 8557.07 179.15 o -3 9 1 14733.45 14735.88 296.18 o -2 9 1 910.33 903.41 34.93 o -1 9 1 176.24 154.78 22.19 o 0 9 1 238.80 279.07 24.08 o 1 9 1 1478.38 1431.68 44.58 o 2 9 1 3579.72 3431.04 130.90 o 3 9 1 12.76 29.81 16.35 o 4 9 1 1275.14 1240.76 34.95 o 5 9 1 4.04 25.46 16.96 o 6 9 1 957.06 923.12 31.96 o 7 9 1 743.90 935.63 42.14 o 8 9 1 424.85 513.74 36.01 o -8 10 1 209.58 149.48 27.70 o -7 10 1 114.68 76.09 24.76 o -6 10 1 6.55 36.74 23.22 o -5 10 1 35.25 35.42 21.20 o -4 10 1 1911.51 1866.16 53.76 o -3 10 1 1200.76 1228.65 41.92 o -2 10 1 40.13 79.34 21.80 o -1 10 1 6854.10 6528.84 188.34 o 0 10 1 7921.06 7854.44 166.53 o 1 10 1 2229.95 2198.08 72.74 o 2 10 1 614.40 580.77 30.26 o 3 10 1 406.82 495.42 30.63 o 4 10 1 677.63 673.92 27.26 o 5 10 1 578.54 562.56 25.98 o 6 10 1 1111.37 1199.66 38.07 o 7 10 1 3016.98 3207.41 87.91 o -6 11 1 2195.73 2358.40 91.62 o -5 11 1 1312.44 1233.19 43.50 o -4 11 1 1090.70 1064.57 40.31 o -3 11 1 58.92 44.44 22.06 o -2 11 1 2394.97 2138.60 59.48 o -1 11 1 990.42 986.69 54.18 o 0 11 1 44.84 47.42 22.40 o 1 11 1 8.15 12.60 20.77 o 2 11 1 10544.12 10216.13 212.03 o 3 11 1 309.71 332.03 27.32 o 4 11 1 4987.46 5070.59 114.68 o 5 11 1 0.98 43.95 25.76 o 6 11 1 1240.98 1078.64 57.70 o -5 12 1 633.28 634.42 33.96 o -4 12 1 22.22 10.81 21.68 o -3 12 1 6.04 35.85 23.21 o -2 12 1 798.40 884.94 38.05 o -1 12 1 593.13 645.11 41.49 o 0 12 1 3117.08 3078.25 77.84 o 1 12 1 38.38 61.04 23.84 o 2 12 1 130.17 184.72 25.76 o 3 12 1 2273.24 2078.79 59.28 o 4 12 1 825.61 766.97 36.23 o 5 12 1 744.56 671.52 50.94 o -12 0 2 196.80 185.70 39.68 o -10 0 2 6584.56 6569.30 160.37 o -8 0 2 3008.88 2979.16 152.22 o -6 0 2 13128.90 13808.40 243.71 o -4 0 2 7606.04 7015.42 129.37 o -2 0 2 1964.52 2082.92 52.27 o 0 0 2 9710.08 9710.48 203.58 o 2 0 2 4710.79 4986.22 111.44 o 4 0 2 11008.91 11488.60 414.32 o 6 0 2 42111.15 42186.66 1229.62 o 8 0 2 914.89 841.00 53.04 o 10 0 2 530.78 475.79 46.50 o 12 0 2 1049.09 1077.24 58.96 o -12 1 2 378.57 364.95 32.65 o -11 1 2 2108.65 2114.98 70.43 o -10 1 2 2580.77 2535.30 52.46 o -9 1 2 1563.76 1580.91 37.44 o -8 1 2 19772.83 19032.08 301.33 o -7 1 2 2901.80 2875.58 55.63 o -6 1 2 4197.67 4165.31 58.18 o -5 1 2 4436.61 4471.56 61.58 o -4 1 2 5698.18 6193.70 81.73 o -3 1 2 28547.71 30167.81 374.96 o -2 1 2 10435.45 10564.86 146.50 o -1 1 2 691.64 769.49 18.72 o 0 1 2 5107.87 5052.72 79.53 o 1 1 2 219.44 275.88 18.96 o 2 1 2 64759.57 66958.02 935.64 o 3 1 2 10680.04 10404.42 153.92 o 4 1 2 639.95 576.53 24.16 o 5 1 2 36.16 69.19 11.84 o 6 1 2 383.16 389.45 26.49 o 7 1 2 11408.85 10555.86 231.61 o 8 1 2 400.15 337.69 27.76 o 9 1 2 2028.03 2063.26 62.66 o 10 1 2 137.85 131.49 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