#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/63/2016396.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_2016396_Fobs loop_ _publ_author_name 'Beaurain, M.' 'Astier, R.' 'van der Lee, A.' 'Armand, P.' _publ_section_title ; K~3~Ga~2~(PO~4~)~3~ and Na~3~Ga(PO~4~)~2~ ; _journal_coeditor_code IZ3036 _journal_issue 1 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i5 _journal_page_last i8 _journal_volume 64 _journal_year 2008 _space_group_IT_number 2 _symmetry_space_group_name_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _audit_creation_date 07-09-27 _audit_creation_method CRYSTALS _cell_angle_alpha 88.970(3) _cell_angle_beta 70.982(3) _cell_angle_gamma 87.949(3) _cell_length_a 8.8595(3) _cell_length_b 8.8773(3) _cell_length_c 9.1972(3) _[local]_cod_data_source_file iz3036IIsup3.hkl _[local]_cod_data_source_block II loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_F_squared_sigma _refln_observed_status 2 0 0 1.64 3.54 7.59 o 3 0 0 908.14 647.41 12.98 o 4 0 0 2408.54 2760.69 22.03 o 5 0 0 6625.39 6552.15 43.31 o 6 0 0 3.31 2.35 11.81 o 7 0 0 281.64 319.66 20.62 o 8 0 0 282.65 293.17 21.61 o 9 0 0 294.75 262.65 23.36 o 10 0 0 52.18 83.48 25.48 o 11 0 0 194.25 187.05 32.17 o 12 0 0 41.16 20.99 39.29 o -12 1 0 275.59 322.71 37.45 o -11 1 0 203.01 175.91 32.05 o -10 1 0 302.91 274.07 26.71 o -9 1 0 755.43 713.15 29.90 o -8 1 0 246.07 262.76 20.52 o -7 1 0 111.54 124.46 18.46 o -6 1 0 20.54 10.69 14.20 o -5 1 0 2312.80 2271.84 25.57 o -4 1 0 47.08 25.97 8.64 o -3 1 0 33.46 55.27 8.21 o -2 1 0 45.73 14.43 7.70 o -1 1 0 3145.24 3428.41 15.74 o 1 1 0 580.32 731.68 8.10 o 2 1 0 42.26 31.71 7.97 o 3 1 0 734.92 912.05 12.94 o 4 1 0 157.83 126.90 10.95 o 5 1 0 93.29 90.77 11.85 o 6 1 0 1355.01 1493.38 25.44 o 7 1 0 41.26 55.16 18.04 o 8 1 0 2.73 4.72 32.98 o 9 1 0 3.35 0.20 20.75 o 10 1 0 981.50 898.19 39.37 o 11 1 0 7.46 16.67 29.40 o 12 1 0 37.68 49.60 39.37 o -12 2 0 74.63 68.92 38.54 o -11 2 0 128.33 151.29 32.67 o -10 2 0 154.29 144.51 26.20 o -9 2 0 316.09 289.26 24.70 o -8 2 0 8.13 4.99 14.60 o -7 2 0 1212.60 1232.15 29.33 o -6 2 0 194.66 210.48 17.00 o -5 2 0 3053.62 3073.53 34.24 o -4 2 0 8494.44 8618.18 49.08 o -3 2 0 172.28 92.73 10.25 o -2 2 0 915.01 817.87 13.77 o -1 2 0 1025.30 865.85 11.36 o 0 2 0 6317.46 6361.38 23.45 o 1 2 0 8544.13 8979.71 32.73 o 2 2 0 625.23 506.81 13.06 o 3 2 0 931.13 920.59 15.45 o 4 2 0 8043.34 8274.49 44.39 o 5 2 0 9419.00 9688.57 55.48 o 6 2 0 26.64 22.04 15.41 o 7 2 0 42.45 56.85 19.30 o 8 2 0 164.24 170.65 22.67 o 9 2 0 3653.99 3457.97 57.52 o 10 2 0 129.58 111.35 26.39 o 11 2 0 -10.88 6.82 25.93 o -12 3 0 245.17 253.90 42.39 o -11 3 0 107.03 84.27 34.69 o -10 3 0 204.07 190.50 27.19 o -9 3 0 264.90 287.25 24.18 o -8 3 0 132.30 130.27 19.65 o -7 3 0 448.42 521.65 21.42 o -6 3 0 475.92 481.56 20.25 o -5 3 0 156.79 124.27 14.30 o -4 3 0 305.46 256.22 13.63 o -3 3 0 1671.65 1748.54 21.46 o -2 3 0 5650.36 4956.35 33.57 o -1 3 0 1579.88 1548.83 15.52 o 0 3 0 28.88 5.15 5.96 o 1 3 0 2870.23 2619.36 20.70 o 2 3 0 6541.42 5692.19 37.18 o 3 3 0 686.27 669.54 16.39 o 4 3 0 8.52 5.12 10.90 o 5 3 0 1094.60 1084.65 23.59 o 6 3 0 68.58 86.94 16.75 o 7 3 0 944.03 1007.98 28.28 o 8 3 0 -3.48 4.91 18.11 o 9 3 0 120.05 167.41 24.91 o 10 3 0 128.60 94.34 29.11 o 11 3 0 37.09 21.68 33.65 o -11 4 0 -6.53 1.49 39.30 o -10 4 0 111.47 107.38 29.82 o -9 4 0 4318.20 4285.47 57.54 o -8 4 0 59.62 61.00 19.48 o -7 4 0 10.79 15.79 13.87 o -6 4 0 75.21 45.26 15.55 o -5 4 0 7893.04 7956.80 57.11 o -4 4 0 4020.57 4083.17 37.50 o -3 4 0 305.40 309.81 12.21 o -2 4 0 165.31 198.24 9.10 o -1 4 0 36.06 26.55 6.71 o 0 4 0 1881.43 1911.14 19.39 o 1 4 0 1725.14 1760.44 18.89 o 2 4 0 126.27 70.94 9.64 o 3 4 0 497.22 591.73 16.02 o 4 4 0 3908.45 3724.57 38.38 o 5 4 0 1784.24 1859.25 30.31 o 6 4 0 382.08 420.92 19.93 o 7 4 0 1278.96 1272.81 30.48 o 8 4 0 15.78 8.49 22.54 o 9 4 0 731.17 648.86 33.71 o 10 4 0 29.99 11.32 27.42 o 11 4 0 54.86 39.55 32.93 o -11 5 0 12.29 3.74 34.62 o -10 5 0 759.27 679.97 36.44 o -9 5 0 6.92 5.65 21.96 o -8 5 0 31.34 44.60 21.22 o -7 5 0 96.85 99.81 17.81 o -6 5 0 174.73 202.86 16.99 o -5 5 0 575.22 589.57 19.66 o -4 5 0 222.91 210.12 13.95 o -3 5 0 1687.73 1924.27 24.76 o -2 5 0 438.35 427.21 13.58 o -1 5 0 4.33 2.89 7.42 o 0 5 0 27.22 22.67 7.48 o 1 5 0 3672.90 3590.17 29.73 o 2 5 0 1908.07 2285.30 22.99 o 3 5 0 12.23 0.07 11.67 o 4 5 0 1.95 10.22 10.44 o 5 5 0 2168.79 2172.32 34.68 o 6 5 0 45.78 27.85 15.88 o 7 5 0 43.12 34.78 16.96 o 8 5 0 76.60 71.19 23.12 o 9 5 0 412.44 424.91 31.00 o 10 5 0 77.43 89.88 29.95 o 11 5 0 36.67 64.00 33.09 o -10 6 0 173.22 223.57 29.73 o -9 6 0 242.72 196.60 24.17 o -8 6 0 593.65 622.09 29.22 o -7 6 0 2.49 0.87 18.42 o -6 6 0 170.65 198.57 17.97 o -5 6 0 1270.43 1250.40 28.62 o -4 6 0 4076.80 4036.89 40.96 o -3 6 0 12.05 4.05 10.82 o -2 6 0 55.89 37.38 10.40 o -1 6 0 2878.81 2971.51 29.47 o 0 6 0 23511.23 23300.80 80.32 o 1 6 0 1310.73 1287.82 21.10 o 2 6 0 15.29 16.66 10.01 o 3 6 0 250.46 194.19 16.03 o 4 6 0 4149.53 4423.15 45.41 o 5 6 0 356.00 342.85 19.91 o 6 6 0 329.88 313.80 20.11 o 7 6 0 4.57 1.20 21.34 o 8 6 0 326.89 331.67 27.25 o 9 6 0 219.81 270.45 28.69 o 10 6 0 178.98 171.53 36.92 o -9 7 0 436.91 470.36 28.98 o -8 7 0 225.46 215.02 24.17 o -7 7 0 26.02 29.97 21.07 o -6 7 0 192.33 185.18 20.91 o -5 7 0 247.99 226.69 17.82 o -4 7 0 8.84 2.10 12.83 o -3 7 0 257.25 304.47 15.75 o -2 7 0 20.95 16.34 11.26 o -1 7 0 270.77 287.70 14.78 o 0 7 0 72.57 89.19 10.68 o 1 7 0 6.30 2.51 70.70 o 2 7 0 537.43 624.42 19.87 o 3 7 0 671.67 698.30 21.29 o 4 7 0 10.01 3.02 12.90 o 5 7 0 211.21 178.22 18.02 o 6 7 0 499.66 506.25 24.36 o 7 7 0 79.51 85.27 20.72 o 8 7 0 25.59 32.60 28.93 o 9 7 0 86.10 84.34 31.26 o 10 7 0 571.65 542.22 36.53 o -9 8 0 543.00 604.89 32.83 o -8 8 0 11.96 26.84 25.57 o -7 8 0 30.18 44.45 22.42 o -6 8 0 352.44 361.94 23.92 o -5 8 0 526.16 552.53 24.31 o -4 8 0 321.00 329.91 19.62 o -3 8 0 406.24 445.25 19.19 o -2 8 0 463.35 467.77 19.33 o -1 8 0 108.40 121.35 13.33 o 0 8 0 2508.71 2396.74 35.43 o 1 8 0 96.20 83.87 14.26 o 2 8 0 1.22 0.75 9.32 o 3 8 0 732.50 673.57 25.59 o 4 8 0 3967.83 3937.72 49.88 o 5 8 0 3962.29 3904.76 51.84 o 6 8 0 245.27 234.60 21.02 o 7 8 0 6.21 10.39 27.46 o 8 8 0 39.67 39.60 29.20 o 9 8 0 1347.38 1314.06 44.24 o -8 9 0 160.43 145.60 30.86 o -7 9 0 87.43 86.23 27.60 o -6 9 0 9.77 0.34 23.52 o -5 9 0 141.97 149.96 21.87 o -4 9 0 209.28 189.80 20.76 o -3 9 0 1091.90 961.86 30.33 o -2 9 0 88.17 78.73 16.54 o -1 9 0 50.07 55.51 14.96 o 0 9 0 42.76 55.51 16.28 o 1 9 0 171.71 157.09 18.75 o 2 9 0 76.49 50.41 17.03 o 3 9 0 535.94 523.79 23.88 o 4 9 0 4.07 3.05 54.20 o 5 9 0 778.78 786.88 30.24 o 6 9 0 54.19 67.47 22.94 o 7 9 0 157.55 166.97 26.01 o 8 9 0 19.77 1.51 31.23 o 9 9 0 156.43 249.19 42.43 o -7 10 0 127.95 119.90 34.65 o -6 10 0 26.89 11.26 28.43 o -5 10 0 2315.02 2164.93 47.74 o -4 10 0 432.26 402.61 25.82 o -3 10 0 162.49 203.99 20.44 o -2 10 0 5.62 8.90 20.53 o -1 10 0 194.16 162.96 19.26 o 0 10 0 740.72 751.64 28.26 o 1 10 0 627.25 613.11 26.72 o 2 10 0 2.08 1.26 14.12 o 3 10 0 25.32 16.65 19.10 o 4 10 0 401.21 373.45 25.67 o 5 10 0 286.06 294.80 26.37 o 6 10 0 123.10 169.58 28.40 o 7 10 0 140.89 166.03 34.22 o -6 11 0 31.66 24.75 33.64 o -5 11 0 53.83 63.96 34.70 o -4 11 0 45.16 61.64 28.28 o -3 11 0 434.21 382.05 28.12 o -2 11 0 295.85 227.40 24.19 o -1 11 0 -4.99 2.68 10.42 o 0 11 0 93.63 86.89 21.65 o 1 11 0 1061.42 1098.96 34.25 o 2 11 0 40.01 45.65 24.33 o 3 11 0 10.09 1.05 19.78 o 4 11 0 6.65 3.15 26.35 o 5 11 0 992.11 910.95 40.52 o 6 11 0 99.86 60.70 35.31 o -3 12 0 2.24 36.37 32.25 o -2 12 0 -20.71 0.39 29.66 o -1 12 0 490.85 394.22 31.22 o 0 12 0 3057.96 2959.24 58.02 o 1 12 0 384.10 332.84 32.27 o 2 12 0 42.19 57.34 33.29 o 3 12 0 67.42 73.62 34.06 o 4 12 0 652.63 662.81 36.86 o -3 -12 1 42.40 35.30 33.46 o -2 -12 1 260.24 232.29 31.93 o -1 -12 1 -7.96 2.05 43.86 o 0 -12 1 -6.56 2.41 16.42 o 1 -12 1 61.91 13.66 28.57 o 2 -12 1 538.16 509.37 32.53 o 3 -12 1 174.37 149.66 29.54 o -7 -11 1 18.95 130.94 43.92 o -5 -11 1 918.22 817.20 41.05 o -4 -11 1 128.96 87.86 31.56 o -3 -11 1 -10.22 3.02 19.22 o -2 -11 1 289.53 258.06 25.64 o -1 -11 1 104.58 79.58 25.53 o 0 -11 1 31.61 12.42 23.75 o 1 -11 1 6.62 3.94 290.66 o 2 -11 1 289.58 282.45 25.54 o 3 -11 1 747.64 702.60 33.21 o 4 -11 1 22.88 23.12 28.83 o 5 -11 1 50.88 22.98 33.34 o 6 -11 1 22.75 53.02 31.21 o -8 -10 1 -5.33 1.78 14.66 o -7 -10 1 360.63 359.76 36.93 o -6 -10 1 111.37 90.59 30.89 o -5 -10 1 53.74 22.63 24.56 o -4 -10 1 31.86 27.11 22.02 o -3 -10 1 435.90 429.71 27.80 o -2 -10 1 52.96 73.34 22.53 o -1 -10 1 21.78 21.67 18.90 o 0 -10 1 32.37 15.33 18.88 o 1 -10 1 85.98 77.96 20.39 o 2 -10 1 -9.59 0.99 17.44 o 3 -10 1 51.02 45.40 20.87 o 4 -10 1 404.22 370.02 25.52 o 5 -10 1 20.70 24.54 24.84 o 6 -10 1 95.71 101.80 28.73 o 7 -10 1 154.74 145.97 32.42 o -8 -9 1 -18.41 0.78 27.30 o -7 -9 1 1.58 6.26 27.36 o -6 -9 1 643.83 570.77 30.81 o -5 -9 1 1725.93 1537.15 41.49 o -4 -9 1 6.36 4.37 17.64 o -3 -9 1 233.90 230.14 21.34 o -2 -9 1 324.23 344.82 23.18 o -1 -9 1 5789.27 5705.79 65.98 o 0 -9 1 1015.19 1035.94 30.14 o 1 -9 1 30.52 40.79 14.92 o 2 -9 1 94.43 99.17 16.19 o 3 -9 1 2814.71 3076.87 44.76 o 4 -9 1 994.68 941.89 30.89 o 5 -9 1 7.13 1.17 20.32 o 6 -9 1 10.92 8.92 22.18 o 7 -9 1 462.53 481.41 28.23 o 8 -9 1 904.11 950.99 36.55 o -9 -8 1 59.64 26.06 34.31 o -8 -8 1 111.83 86.51 30.75 o -7 -8 1 582.27 568.39 31.79 o -6 -8 1 1293.56 1133.52 36.34 o -5 -8 1 17.95 13.69 18.41 o -4 -8 1 85.09 103.64 17.22 o -3 -8 1 484.25 507.26 20.96 o -2 -8 1 1036.72 1044.05 25.71 o -1 -8 1 18.41 11.71 13.25 o 0 -8 1 28.99 38.44 13.33 o 1 -8 1 148.93 147.70 14.35 o 2 -8 1 343.38 338.05 16.99 o 3 -8 1 33.57 27.10 14.51 o 4 -8 1 31.10 21.03 16.33 o 5 -8 1 95.81 85.03 17.74 o 6 -8 1 21.35 33.30 19.77 o 7 -8 1 -6.63 8.77 14.26 o 8 -8 1 129.66 121.61 25.24 o 9 -8 1 284.82 261.21 32.11 o -9 -7 1 39.42 20.32 32.15 o -8 -7 1 163.69 148.34 27.67 o -7 -7 1 161.14 190.57 24.35 o -6 -7 1 664.24 692.12 27.98 o -5 -7 1 185.68 152.76 19.72 o -4 -7 1 27.10 19.79 16.20 o -3 -7 1 32.11 44.57 13.48 o -2 -7 1 543.62 510.31 20.11 o -1 -7 1 1801.49 1805.94 26.50 o 0 -7 1 502.92 566.27 16.47 o 1 -7 1 38.93 26.95 10.93 o 2 -7 1 33.42 34.80 11.46 o 3 -7 1 3802.23 3896.33 40.87 o 4 -7 1 7876.16 7730.13 63.42 o 5 -7 1 153.60 164.55 17.09 o 6 -7 1 177.02 199.14 18.44 o 7 -7 1 144.50 188.26 20.50 o 8 -7 1 3071.07 3118.71 53.29 o 9 -7 1 965.72 948.33 35.75 o 10 -7 1 7.76 5.45 30.18 o -10 -6 1 -0.86 23.89 16.83 o -9 -6 1 134.90 109.14 31.14 o -8 -6 1 783.56 794.75 33.74 o -7 -6 1 273.82 294.52 25.97 o -6 -6 1 1248.27 1145.27 32.89 o -5 -6 1 134.22 153.10 17.11 o -4 -6 1 255.66 249.09 18.64 o -3 -6 1 32.22 6.85 14.41 o -2 -6 1 432.84 357.16 15.91 o -1 -6 1 96.11 74.44 10.65 o 0 -6 1 200.69 187.63 11.75 o 1 -6 1 77.76 4.00 10.27 o 2 -6 1 377.42 401.25 14.43 o 3 -6 1 318.63 295.20 14.42 o 4 -6 1 21.53 11.47 11.85 o 5 -6 1 110.93 126.07 13.73 o 6 -6 1 68.82 64.78 14.79 o 7 -6 1 -5.55 3.13 19.38 o 8 -6 1 674.56 763.72 29.04 o 9 -6 1 -1.26 3.26 24.67 o 10 -6 1 252.31 224.47 29.57 o -10 -5 1 1773.80 1689.38 49.50 o -9 -5 1 603.19 594.43 34.53 o -8 -5 1 79.07 112.62 23.88 o -7 -5 1 345.29 353.22 25.84 o -6 -5 1 2730.67 2735.32 42.94 o -5 -5 1 2832.90 2793.06 40.81 o -4 -5 1 586.61 572.04 21.24 o -3 -5 1 18.14 10.60 12.90 o -2 -5 1 1285.06 1463.62 21.23 o -1 -5 1 375.58 438.44 12.93 o 0 -5 1 1783.88 1750.70 22.12 o 1 -5 1 1055.92 961.79 18.28 o 2 -5 1 8.69 5.26 8.52 o 3 -5 1 3888.01 3845.41 34.59 o 4 -5 1 790.84 793.62 18.61 o 5 -5 1 684.96 634.10 20.01 o 6 -5 1 50.97 61.00 14.21 o 7 -5 1 148.92 155.28 17.42 o 8 -5 1 545.43 507.21 24.85 o 9 -5 1 472.63 482.66 26.53 o 10 -5 1 61.83 60.03 25.39 o 11 -5 1 25.07 10.90 30.85 o -11 -4 1 523.80 542.43 36.74 o -10 -4 1 170.01 185.65 30.32 o -9 -4 1 6.40 5.17 24.20 o -8 -4 1 170.58 176.36 24.56 o -7 -4 1 229.94 302.40 22.82 o -6 -4 1 611.54 606.34 24.62 o -5 -4 1 219.03 222.74 17.98 o -4 -4 1 926.47 1036.99 22.46 o -3 -4 1 5931.90 6128.96 45.11 o -2 -4 1 1014.37 1232.01 17.91 o -1 -4 1 9.39 0.61 7.16 o 0 -4 1 43.81 33.97 7.81 o 1 -4 1 478.61 619.19 12.65 o 2 -4 1 12.63 6.03 7.05 o 3 -4 1 56.45 56.41 8.51 o 4 -4 1 1735.26 1681.82 24.24 o 5 -4 1 196.76 212.64 14.55 o 6 -4 1 53.21 29.66 14.40 o 7 -4 1 31.53 29.13 15.43 o 8 -4 1 1212.68 1276.82 30.96 o 9 -4 1 604.61 612.69 27.04 o 10 -4 1 41.19 60.60 26.24 o 11 -4 1 266.86 307.79 28.27 o 12 -4 1 368.33 341.79 38.02 o -11 -3 1 187.96 221.04 35.57 o -10 -3 1 141.53 152.64 29.73 o -9 -3 1 84.95 65.73 24.73 o -8 -3 1 47.72 79.95 22.57 o -7 -3 1 2.00 0.65 14.25 o -6 -3 1 2010.26 1971.76 37.79 o -5 -3 1 9121.66 9223.40 65.87 o -4 -3 1 2156.25 1938.96 30.01 o -3 -3 1 267.94 169.52 13.20 o -2 -3 1 310.29 499.04 11.72 o -1 -3 1 23426.84 23647.85 98.31 o 0 -3 1 4034.02 4227.41 26.33 o 1 -3 1 725.48 613.47 12.62 o 2 -3 1 73.11 25.07 7.54 o 3 -3 1 509.21 863.36 12.61 o 4 -3 1 4164.04 4110.91 34.32 o 5 -3 1 12.83 14.76 11.14 o 6 -3 1 378.83 314.97 17.09 o 7 -3 1 2420.13 2414.69 37.04 o 8 -3 1 723.39 748.41 26.20 o 9 -3 1 224.00 248.93 21.74 o 10 -3 1 12.64 21.61 22.71 o 11 -3 1 14.01 4.61 31.17 o 12 -3 1 170.05 177.76 36.39 o -11 -2 1 59.56 75.52 36.23 o -10 -2 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