#------------------------------------------------------------------------------ #$Date: 2016-04-02 23:00:04 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180894 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/34/2103459.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_2103459_Fobs loop_ _publ_author_name 'Norberg, Stefan T.' _publ_section_title ; New phosphate langbeinites, K~2~MTi(PO~4~)~3~ (M = Er, Yb or Y), and an alternative description of the langbeinite framework ; _journal_issue 5 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 743 _journal_page_last 749 _journal_volume 58 _journal_year 2002 _space_group_IT_number 198 _symmetry_space_group_name_Hall 'P 2ac 2ab 3' _symmetry_space_group_name_H-M 'P 21 3' _cod_data_source_file os0095KCrTPsup5.hkl _cod_data_source_block KCrTP loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma 0 0 2 52.31 40.48 4.53 0 0 4 574.49 320.57 8.11 0 0 6 4186.30 4149.52 38.49 0 0 8 246.68 268.37 6.43 0 0 10 350.50 315.62 8.42 0 0 12 387.25 403.26 10.17 0 0 14 2836.05 2875.69 38.79 0 1 2 526.10 506.21 7.10 0 1 3 25629.74 24716.57 814.70 0 1 4 2217.53 1738.85 20.57 0 1 5 915.17 915.83 10.99 0 1 6 9424.11 9328.52 61.51 0 1 7 982.53 1008.51 11.89 0 1 8 191.37 203.97 5.45 0 1 9 857.75 800.07 10.52 0 1 10 78.31 73.19 5.61 0 1 11 113.40 109.92 6.42 0 1 12 4953.77 4916.63 54.48 0 1 13 518.46 506.30 11.29 0 1 14 253.94 232.72 9.39 0 1 15 -6.17 2.11 14.52 0 2 1 3734.90 3700.53 25.31 0 2 2 44.43 60.17 3.84 0 2 3 2696.45 2922.09 22.39 0 2 4 2442.51 2584.81 22.21 0 2 5 797.29 836.63 9.90 0 2 6 2122.62 2026.07 23.44 0 2 7 41.25 32.65 4.00 0 2 8 4116.51 4258.58 39.51 0 2 9 487.04 497.73 7.86 0 2 10 13.18 4.76 9.05 0 2 11 304.90 317.31 8.03 0 2 12 1716.88 1732.11 21.36 0 2 13 3238.80 3270.17 39.54 0 2 14 228.45 228.20 9.56 0 2 15 801.08 822.21 15.38 0 3 1 26616.47 25350.79 1005.1 0 3 2 9062.40 9147.73 181.02 0 3 3 845.12 859.07 10.45 0 3 4 5987.81 5869.80 41.54 0 3 5 227.25 237.47 4.59 0 3 6 3990.36 3920.06 34.78 0 3 7 59.75 48.02 4.20 0 3 8 478.47 469.04 7.60 0 3 9 3637.14 3603.63 39.62 0 3 10 3212.92 3175.50 38.03 0 3 11 122.60 123.77 6.61 0 3 12 1837.30 1882.04 23.38 0 3 13 1901.70 1958.63 23.43 0 3 14 2106.09 2068.57 24.92 0 3 15 135.78 135.18 9.84 0 4 1 1838.30 1691.65 18.50 0 4 2 486.20 369.73 6.16 0 4 3 102.47 73.81 3.88 0 4 4 2819.93 2965.75 26.16 0 4 5 461.78 444.95 6.33 0 4 6 2234.07 2203.35 25.67 0 4 7 5591.60 5701.80 47.39 0 4 8 1486.45 1561.19 18.42 0 4 9 295.30 271.68 7.17 0 4 10 182.05 175.14 6.78 0 4 11 1036.44 1049.17 13.51 0 4 12 2660.45 2622.54 33.11 0 4 13 2.26 .03 11.97 0 4 14 1802.49 1791.97 22.30 0 4 15 1405.77 1488.34 20.39 0 5 1 128.57 143.40 3.89 0 5 2 7459.59 7285.40 49.79 0 5 3 4956.52 5166.75 38.20 0 5 4 1984.87 1933.24 22.72 0 5 5 2377.82 2433.37 26.17 0 5 6 2755.46 2846.64 30.19 0 5 7 1360.01 1401.50 16.40 0 5 8 55.22 51.81 4.80 0 5 9 5043.71 5179.18 50.33 0 5 10 199.94 186.55 7.18 0 5 11 114.30 124.23 6.76 0 5 12 127.72 122.95 7.81 0 5 13 29.39 20.89 8.87 0 5 14 755.12 753.62 14.86 0 5 15 12.08 1.59 36.02 0 6 1 8968.73 9092.29 59.45 0 6 2 3606.63 3644.89 31.96 0 6 3 10917.14 10768.66 70.95 0 6 4 1041.12 964.47 12.86 0 6 5 115.37 126.47 4.74 0 6 6 3124.63 3125.81 34.00 0 6 7 1075.45 1092.81 13.11 0 6 8 2282.88 2304.50 28.73 0 6 9 315.34 305.51 7.85 0 6 10 1079.75 1062.15 13.68 0 6 11 2582.80 2568.83 32.16 0 6 12 270.92 288.77 9.63 0 6 13 200.34 190.45 9.20 0 6 14 266.16 266.87 11.02 0 7 1 2350.14 2428.56 26.06 0 7 2 5173.97 5270.77 42.83 0 7 3 8462.40 8565.29 61.43 0 7 4 3060.71 3142.39 32.48 0 7 5 289.05 297.65 6.41 0 7 6 1145.47 1117.10 13.94 0 7 7 2201.03 2289.27 27.34 0 7 8 1.58 3.29 8.56 0 7 9 173.60 184.22 7.18 0 7 10 797.08 803.15 12.32 0 7 11 1134.20 1130.65 15.65 0 7 12 80.03 77.33 7.85 0 7 13 -2.93 20.66 13.09 0 7 14 487.96 501.75 13.29 0 8 1 404.71 404.35 6.78 0 8 2 6595.20 6848.99 52.99 0 8 3 22.29 17.66 6.34 0 8 4 18.02 13.61 7.32 0 8 5 3050.66 3144.38 35.51 0 8 6 1110.22 1084.51 13.86 0 8 7 228.40 236.77 7.21 0 8 8 352.96 335.92 8.34 0 8 9 723.17 706.67 11.68 0 8 10 752.66 781.72 12.88 0 8 11 1365.56 1394.17 17.63 0 8 12 249.77 245.14 9.89 0 8 13 12.00 4.58 12.66 0 9 1 1739.68 1753.96 21.33 0 9 2 4420.86 4323.88 43.35 0 9 3 237.10 251.47 6.34 0 9 4 260.57 248.12 7.02 0 9 5 2478.22 2495.61 30.58 0 9 6 2780.92 2753.49 33.50 0 9 7 372.88 353.77 8.73 0 9 8 291.99 302.60 8.41 0 9 9 42.25 43.08 8.38 0 9 10 645.46 648.29 12.23 0 9 11 443.81 424.48 11.56 0 9 12 399.64 406.27 12.01 0 10 1 234.62 225.09 6.99 0 10 2 14.73 4.80 7.08 0 10 3 8.72 4.42 8.94 0 10 4 1803.52 1867.11 22.35 0 10 5 251.71 226.20 7.63 0 10 6 1143.05 1123.48 14.10 0 10 7 90.02 82.97 6.57 0 10 8 855.45 824.30 13.34 0 10 9 77.12 77.71 7.67 0 10 10 1017.20 1025.16 15.77 0 10 11 273.77 270.81 10.71 0 10 12 574.98 574.01 13.93 0 11 1 2777.09 2782.82 33.72 0 11 2 319.49 316.73 8.14 0 11 3 1388.77 1340.46 17.41 0 11 4 34.28 41.94 9.06 0 11 5 605.40 611.45 10.78 0 11 6 36.40 65.61 10.50 0 11 7 82.87 81.80 7.44 0 11 8 17.14 27.90 12.79 0 11 9 80.65 62.40 7.75 0 11 10 10.89 2.00 12.87 0 11 11 794.87 778.00 15.73 0 12 1 273.52 289.23 8.31 0 12 2 984.92 975.89 13.44 0 12 3 2479.93 2475.65 30.90 0 12 4 266.84 261.90 8.92 0 12 5 6.01 .12 10.30 0 12 6 340.96 331.16 10.06 0 12 7 889.78 918.29 14.65 0 12 8 721.26 757.93 13.82 0 12 9 125.07 141.11 9.52 0 12 10 224.21 243.16 11.15 0 13 1 29.45 33.38 10.56 0 13 2 2752.58 2781.83 33.10 0 13 3 412.54 415.87 10.70 0 13 4 21.58 26.10 12.33 0 13 5 546.75 544.56 12.00 0 13 6 223.90 230.25 9.73 0 13 7 185.84 187.38 9.88 0 13 8 356.71 354.83 11.98 0 13 9 2403.78 2313.06 65.74 0 14 1 69.21 76.62 10.10 0 14 2 26.46 38.40 11.61 0 14 3 599.49 594.73 12.70 0 14 4 19.70 18.87 12.26 0 14 5 2607.23 2635.94 31.80 0 14 6 19.02 6.07 13.16 0 14 7 182.21 184.17 10.41 0 15 1 816.02 816.86 15.45 0 15 2 368.11 382.78 11.91 0 15 3 401.93 404.11 12.39 0 15 4 390.65 383.93 12.41 0 15 5 418.40 403.73 28.23 1 1 1 4413.67 4154.27 62.50 -1 -1 -1 4323.79 4170.81 61.40 1 1 2 2340.52 2282.80 24.63 -1 -1 -2 2662.56 2624.55 26.74 1 1 3 8751.88 8537.30 66.52 -1 -1 -3 8436.33 8366.16 64.52 1 1 4 272.01 234.09 6.03 -1 -1 -4 236.96 207.83 5.89 1 1 5 154.98 135.71 5.21 -1 -1 -5 206.62 185.27 5.60 1 1 6 8116.79 7865.32 71.14 -1 -1 -6 7861.32 7550.87 69.44 1 1 7 518.41 564.00 9.05 -1 -1 -7 549.25 578.03 9.21 1 1 8 1339.55 1373.78 21.13 -1 -1 -8 1497.84 1486.17 23.75 1 1 9 3903.35 3966.54 51.81 -1 -1 -9 3884.30 4010.80 51.91 1 1 10 1857.91 1837.41 29.88 -1 -1 -10 1812.26 1812.29 28.72 1 1 11 531.10 530.87 12.16 -1 -1 -11 569.20 583.24 12.57 1 1 12 2302.62 2310.21 36.90 -1 -1 -12 2342.51 2321.78 37.11 1 1 13 443.26 443.39 13.69 -1 -1 -13 425.31 425.89 13.56 1 1 14 982.52 1017.48 20.31 -1 -1 -14 916.73 933.50 19.52 1 1 15 791.81 800.31 19.58 -1 -1 -15 707.34 734.93 19.01 1 2 2 1766.89 1747.90 21.92 -1 -2 -2 1737.83 1712.99 21.75 1 2 3 15143.26 15871.06 778.87 -1 -2 -3 15638.15 15822.99 110.40 1 2 4 1329.36 1087.25 20.54 -1 -2 -4 1391.09 1170.94 21.26 1 2 5 267.15 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-11 84.81 80.69 9.71 1 8 12 367.64 389.29 14.26 -1 -8 -12 426.56 435.40 14.48 1 8 13 779.55 793.01 20.03 -1 -8 -13 706.97 697.24 18.93 1 9 2 1538.34 1549.19 24.45 -1 -9 -2 1490.42 1510.74 24.06 1 9 3 259.39 256.27 8.67 -1 -9 -3 258.31 261.62 8.73 1 9 4 3997.31 4042.17 54.59 -1 -9 -4 3874.38 3965.76 54.23 1 9 5 1719.01 1647.10 26.90 -1 -9 -5 1438.66 1529.30 22.70 1 9 6 251.01 250.20 9.70 -1 -9 -6 216.96 209.44 9.18 1 9 7 747.81 756.83 14.58 -1 -9 -7 676.66 708.44 14.02 1 9 8 658.75 675.91 14.29 -1 -9 -8 670.86 668.41 14.39 1 9 9 1374.64 1364.79 21.68 -1 -9 -9 1312.51 1342.08 21.29 1 9 10 560.46 546.39 15.20 -1 -9 -10 586.39 561.00 15.63 1 9 11 370.62 364.27 13.42 -1 -9 -11 374.06 376.42 14.06 1 9 12 422.74 431.83 16.17 -1 -9 -12 395.96 414.50 15.98 1 10 2 853.74 857.64 14.41 -1 -10 -2 859.53 883.72 14.35 1 10 3 235.17 197.54 8.76 -1 -10 -3 203.50 195.83 8.96 1 10 4 2333.60 2337.84 37.12 -1 -10 -4 2199.82 2289.71 35.61 1 10 5 1451.42 1432.69 23.05 -1 -10 -5 1426.06 1425.22 22.23 1 10 6 491.28 506.46 12.54 -1 -10 -6 490.61 496.25 12.58 1 10 7 3679.49 3744.62 54.57 -1 -10 -7 3706.18 3753.26 55.06 1 10 8 807.17 771.60 16.75 -1 -10 -8 638.29 659.02 15.63 1 10 9 1075.84 1055.28 19.83 -1 -10 -9 937.12 969.18 18.78 1 10 10 655.17 641.02 16.72 -1 -10 -10 620.84 621.43 16.55 1 10 11 478.69 430.83 15.95 -1 -10 -11 454.98 432.10 16.29 1 10 12 28.14 41.67 11.54 -1 -10 -12 32.46 45.01 18.14 1 11 2 1379.34 1358.04 21.53 -1 -11 -2 1283.00 1290.19 19.98 1 11 3 354.08 349.09 10.93 -1 -11 -3 392.64 406.46 11.43 1 11 4 1505.70 1521.30 24.57 -1 -11 -4 1415.31 1432.22 21.98 1 11 5 1812.22 1826.35 29.90 -1 -11 -5 1810.10 1843.84 28.61 1 11 6 662.21 699.29 15.19 -1 -11 -6 675.30 681.85 15.62 1 11 7 655.92 657.67 15.87 -1 -11 -7 643.37 659.93 16.19 1 11 8 904.92 894.24 18.71 -1 -11 -8 1052.05 1041.51 19.92 1 11 9 76.56 58.83 10.05 -1 -11 -9 60.03 62.88 14.56 1 11 10 132.74 133.60 12.10 -1 -11 -10 119.74 101.26 11.30 1 11 11 713.35 674.43 19.27 -1 -11 -11 691.05 692.38 19.28 1 12 2 604.13 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