#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/50/2015028.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_2015028_Fobs loop_ _publ_author_name 'Feng, Guo-Hua' 'Lacroix-Orio, Laurence' 'Tillard, Monique' 'Belin, Claude' _publ_section_title ; Sm~5~Ga~3~ ; _journal_issue 7 _journal_name_full 'Acta Crystallographica Section C' _journal_page_first i71 _journal_page_last i72 _journal_volume 61 _journal_year 2005 _space_group_IT_number 130 _symmetry_space_group_name_Hall '-P 4a 2ac' _symmetry_space_group_name_H-M 'P 4/n c c :2' _[local]_cod_data_source_file iz1058Isup2.hkl _[local]_cod_data_source_block I 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 1 1 0 55.08 2881.94 504.90 o 0 2 0 13086.24 12765.09 582.56 o 2 2 0 265311.94 262258.00 9291.33 o 1 3 0 569610.13 542863.56 8965.02 o 3 3 0 229075.31 219782.30 3836.02 o 0 4 0 48407.25 46035.55 1477.75 o 2 4 0 163671.70 161286.50 1589.58 o 4 4 0 193813.88 191091.58 1980.43 o 1 5 0 23125.68 21979.80 395.93 o 3 5 0 188940.14 182848.73 2142.81 o 5 5 0 157.90 370.52 143.43 o 0 6 0 479583.47 475548.84 5391.81 o 2 6 0 4244.76 3852.09 117.02 o 4 6 0 17.09 225.88 75.06 o 6 6 0 241222.31 249152.48 9432.63 o 1 7 0 2604.62 2665.79 154.90 o 3 7 0 131369.08 130368.13 2569.14 o 5 7 0 4893.83 4638.70 225.34 o 0 8 0 745.08 1201.09 216.19 o 2 8 0 63919.52 61343.83 1127.17 o 4 8 0 26087.89 25377.06 814.63 o 1 9 0 51477.45 48465.89 628.02 o 3 9 0 14569.36 14337.12 389.05 o 1 2 1 51387.92 50902.98 503.92 o 1 3 1 7920.09 7908.68 74.62 o 2 3 1 26406.88 25920.10 276.91 o 1 4 1 105966.66 103175.80 692.70 o 2 4 1 5101.92 5124.94 104.73 o 3 4 1 48.27 458.79 68.51 o 1 5 1 5797.76 5615.46 97.51 o 2 5 1 20673.40 20040.40 225.71 o 3 5 1 3767.44 3801.68 135.45 o 4 5 1 50901.74 51445.96 617.52 o 1 6 1 12444.11 12128.18 169.13 o 2 6 1 13718.51 13317.09 200.83 o 3 6 1 11806.11 11822.43 284.27 o 4 6 1 10404.57 10347.56 175.55 o 5 6 1 8395.85 8354.12 145.13 o 1 7 1 1850.56 1741.50 84.90 o 2 7 1 85040.85 83069.93 756.22 o 3 7 1 2128.81 1960.18 97.64 o 4 7 1 27470.69 27725.66 439.29 o 5 7 1 5916.71 5656.83 185.04 o 6 7 1 4212.96 4337.65 166.72 o 1 8 1 29480.46 27862.82 258.62 o 2 8 1 3148.96 2786.42 119.20 o 3 8 1 0.08 260.63 72.19 o 4 8 1 7244.36 6884.66 169.13 o 5 8 1 13729.16 13766.14 299.52 o 1 9 1 13889.56 13654.06 258.42 o 2 9 1 4618.71 4336.16 151.67 o 3 9 1 0.20 258.40 88.62 o 0 1 2 283.60 1732.42 106.69 o 1 1 2 2058.93 2828.67 126.33 o 0 2 2 58361.74 58326.46 473.23 o 1 2 2 12197.06 11873.77 149.91 o 2 2 2 1038.70 1199.85 92.39 o 0 3 2 3056.99 3236.05 90.12 o 1 3 2 4763.04 5843.53 75.36 o 2 3 2 397.80 992.66 51.40 o 3 3 2 40371.04 41329.44 633.31 o 0 4 2 3.86 803.56 139.25 o 1 4 2 20.68 155.79 31.37 o 2 4 2 299.57 476.80 40.62 o 3 4 2 22658.39 22417.65 276.40 o 4 4 2 31797.37 30966.44 362.88 o 0 5 2 29519.95 29467.05 457.58 o 1 5 2 43087.03 42843.16 321.03 o 2 5 2 0.00 151.95 28.86 o 3 5 2 8512.38 8147.39 120.20 o 4 5 2 4451.61 4723.34 131.41 o 5 5 2 126.70 469.22 111.32 o 0 6 2 12400.25 12580.44 222.85 o 1 6 2 335.31 426.86 51.22 o 2 6 2 17698.33 17537.75 292.18 o 3 6 2 466.35 497.89 63.10 o 4 6 2 16992.72 16596.73 216.03 o 5 6 2 14017.35 13533.42 245.91 o 6 6 2 2535.03 2576.60 177.73 o 0 7 2 15650.14 15797.84 253.76 o 1 7 2 1124.76 1227.93 82.10 o 2 7 2 14979.21 14256.70 196.81 o 3 7 2 1597.02 1729.78 127.24 o 4 7 2 3147.72 2877.50 115.51 o 5 7 2 13864.28 14069.63 237.23 o 6 7 2 6525.73 6750.60 198.11 o 0 8 2 44313.18 42533.94 552.31 o 1 8 2 10265.23 9854.16 199.86 o 2 8 2 648.23 693.41 84.12 o 3 8 2 10039.28 10091.20 213.41 o 4 8 2 5233.65 5045.48 158.94 o 5 8 2 1771.75 1688.85 140.66 o 0 9 2 1939.08 1659.05 179.70 o 1 9 2 3029.08 2746.57 141.20 o 2 9 2 228.35 349.61 97.66 o 3 9 2 28556.70 28959.27 489.90 o 1 2 3 496829.16 507626.31 5943.26 o 1 3 3 1216.44 1339.91 55.80 o 2 3 3 11088.18 10876.47 135.70 o 1 4 3 215028.41 215128.09 1259.52 o 2 4 3 776.71 900.44 54.25 o 3 4 3 632.26 780.81 55.63 o 1 5 3 947.51 1137.63 79.70 o 2 5 3 197449.53 196705.28 1411.26 o 3 5 3 596.19 718.24 70.85 o 4 5 3 108353.65 107678.85 1191.20 o 1 6 3 3343.50 3380.98 159.80 o 2 6 3 2171.10 2045.32 74.98 o 3 6 3 4256.84 4309.63 106.40 o 4 6 3 1656.50 1550.89 86.99 o 5 6 3 161.37 285.02 69.21 o 1 7 3 261.78 474.53 69.90 o 2 7 3 45896.77 45010.02 537.95 o 3 7 3 341.36 486.24 75.35 o 4 7 3 80588.51 82036.79 1197.04 o 5 7 3 925.33 907.35 107.94 o 6 7 3 5138.26 5292.94 174.20 o 1 8 3 51782.84 49847.48 823.81 o 2 8 3 546.21 550.66 75.40 o 3 8 3 1945.94 2071.92 224.38 o 4 8 3 1211.05 1153.96 108.71 o 5 8 3 24821.89 24655.68 485.52 o 1 9 3 2216.83 2250.31 130.98 o 2 9 3 0.30 461.52 97.64 o 3 9 3 0.04 289.91 90.02 o 0 0 4 41466.15 40363.41 1534.84 o 0 1 4 11463.83 11175.56 287.75 o 1 1 4 108273.03 107269.97 1588.92 o 0 2 4 390031.75 400952.56 5659.58 o 1 2 4 2175.52 2005.33 56.34 o 2 2 4 8045.97 9437.52 229.69 o 0 3 4 4956.43 4945.83 192.01 o 1 3 4 1831.82 1975.82 84.90 o 2 3 4 11203.40 10871.16 169.61 o 3 3 4 440943.16 437585.25 12392.97 o 0 4 4 87044.18 89841.23 621.51 o 1 4 4 8460.23 7962.73 117.35 o 2 4 4 5497.29 6150.23 82.06 o 3 4 4 18.96 192.82 35.45 o 4 4 4 62258.05 63637.89 714.10 o 0 5 4 292.08 465.19 67.54 o 1 5 4 170378.00 170598.97 1255.77 o 2 5 4 5982.29 5549.58 111.60 o 3 5 4 15575.16 16155.66 260.26 o 4 5 4 11249.85 10867.93 175.39 o 5 5 4 28582.40 28669.81 478.81 o 0 6 4 63455.16 62285.54 747.99 o 1 6 4 3698.13 3487.97 122.04 o 2 6 4 136192.00 139309.64 1080.86 o 3 6 4 2717.55 2431.89 81.73 o 4 6 4 99224.74 101858.00 1288.68 o 5 6 4 127.93 336.38 65.17 o 6 6 4 21292.96 21569.08 635.46 o 0 7 4 17943.77 17424.69 487.21 o 1 7 4 28308.56 27316.43 341.50 o 2 7 4 85.40 341.01 59.81 o 3 7 4 2425.43 2355.56 111.49 o 4 7 4 502.43 489.18 78.04 o 5 7 4 60788.70 63184.81 1086.66 o 6 7 4 8595.34 8443.81 246.55 o 0 8 4 164971.80 163327.34 3085.67 o 1 8 4 17.28 248.57 72.03 o 2 8 4 2824.30 3107.75 179.97 o 3 8 4 11978.60 11998.10 375.80 o 4 8 4 2981.75 2960.76 149.84 o 0 9 4 589.65 505.56 144.99 o 1 9 4 3347.94 3045.21 144.97 o 2 9 4 2933.20 2738.48 172.00 o 1 2 5 21496.18 21146.64 253.90 o 1 3 5 9740.09 9802.29 122.94 o 2 3 5 15084.88 15104.91 188.11 o 1 4 5 44.50 385.80 81.13 o 2 4 5 6528.67 6287.39 173.84 o 3 4 5 275.04 487.63 52.22 o 1 5 5 7563.57 7600.55 168.49 o 2 5 5 8135.06 8247.52 177.12 o 3 5 5 4998.81 5137.79 125.45 o 4 5 5 15.13 457.10 69.72 o 1 6 5 6047.47 6137.20 174.08 o 2 6 5 18350.99 18385.02 228.63 o 3 6 5 7223.72 7287.03 143.79 o 4 6 5 14123.10 14204.99 286.77 o 5 6 5 2661.73 2653.73 116.66 o 1 7 5 2491.75 2524.44 91.54 o 2 7 5 5630.42 5662.42 131.22 o 3 7 5 2903.74 2886.77 112.13 o 4 7 5 524.76 609.72 85.95 o 5 7 5 8139.52 8076.42 188.10 o 6 7 5 4607.62 4547.75 181.10 o 1 8 5 66.10 419.49 81.67 o 2 8 5 4334.89 4384.14 180.78 o 3 8 5 351.33 561.61 106.46 o 4 8 5 10023.95 10347.39 283.95 o 1 9 5 19173.52 18287.74 428.86 o 2 9 5 1097.70 966.18 128.86 o 0 0 6 693487.88 681473.44 11562.71 o 0 1 6 22710.42 22140.00 459.76 o 1 1 6 38315.90 36296.44 341.18 o 0 2 6 59573.63 60711.25 771.26 o 1 2 6 7900.02 7463.09 154.64 o 2 2 6 30361.68 29927.91 392.32 o 0 3 6 12031.95 11436.44 197.12 o 1 3 6 128780.76 133066.33 953.37 o 2 3 6 21050.12 20335.62 268.92 o 3 3 6 231807.94 234101.88 3349.97 o 0 4 6 108870.92 110345.52 1115.51 o 1 4 6 16833.68 16291.91 161.19 o 2 4 6 18353.97 18078.76 257.62 o 3 4 6 776.84 699.41 62.17 o 4 4 6 45131.46 46365.63 694.06 o 0 5 6 264.22 335.98 70.66 o 1 5 6 65.73 357.67 79.84 o 2 5 6 12172.17 12001.31 204.60 o 3 5 6 28916.51 30317.84 394.82 o 4 5 6 18865.55 19132.69 329.39 o 5 5 6 14497.99 14683.16 407.71 o 0 6 6 133496.00 135365.09 2017.57 o 1 6 6 8156.37 7762.61 150.00 o 2 6 6 24613.37 24447.65 329.06 o 3 6 6 6793.38 6457.33 163.11 o 4 6 6 8868.99 9296.58 175.45 o 5 6 6 110.39 279.30 75.79 o 6 6 6 74162.59 76253.06 1986.58 o 0 7 6 27623.32 26540.71 677.82 o 1 7 6 5513.96 5185.81 126.66 o 2 7 6 199.90 328.48 65.69 o 3 7 6 30826.94 31449.63 442.66 o 4 7 6 2030.75 1724.03 118.27 o 5 7 6 559.68 627.28 106.79 o 0 8 6 2296.11 2451.60 171.80 o 1 8 6 346.60 483.94 83.79 o 2 8 6 9143.48 9160.11 248.85 o 3 8 6 17800.93 17824.81 435.14 o 4 8 6 608.22 679.97 106.99 o 0 9 6 1650.38 1268.74 187.87 o 1 9 6 6274.79 6309.11 258.49 o 1 2 7 132981.75 133461.83 1106.37 o 1 3 7 554.53 754.71 68.83 o 2 3 7 20411.56 20391.08 277.30 o 1 4 7 187279.16 193087.20 1400.55 o 2 4 7 405.71 479.66 48.36 o 3 4 7 1.39 453.43 94.96 o 1 5 7 404.64 610.69 78.07 o 2 5 7 62095.20 64233.60 781.14 o 3 5 7 297.19 416.90 60.69 o 4 5 7 99516.35 107678.59 2106.41 o 1 6 7 11300.12 11275.49 180.59 o 2 6 7 1123.10 1131.05 82.10 o 3 6 7 10314.61 10445.38 187.16 o 4 6 7 865.82 944.54 94.29 o 5 6 7 9474.37 9718.15 250.56 o 1 7 7 203.00 343.03 63.01 o 2 7 7 132735.91 137449.23 1719.77 o 3 7 7 176.35 326.84 76.26 o 4 7 7 60771.32 63984.86 1314.13 o 5 7 7 535.61 673.35 120.70 o 1 8 7 57144.29 56445.96 911.10 o 2 8 7 215.84 369.75 86.62 o 3 8 7 116.03 436.37 104.53 o 0 0 8 334498.50 333131.00 3565.26 o 0 1 8 5482.27 5291.67 153.90 o 1 1 8 418.71 526.56 77.14 o 0 2 8 1766.23 2229.95 129.54 o 1 2 8 19721.77 19205.71 216.53 o 2 2 8 44271.36 44782.34 597.14 o 0 3 8 9474.31 9104.20 202.19 o 1 3 8 99301.79 100581.93 722.74 o 2 3 8 1446.59 1548.65 94.64 o 3 3 8 12905.04 13051.48 415.25 o 0 4 8 6907.13 6349.51 203.07 o 1 4 8 2260.50 2311.94 114.74 o 2 4 8 28118.59 29770.79 390.59 o 3 4 8 28081.40 28762.13 473.04 o 4 4 8 61244.16 67047.84 1889.12 o 0 5 8 34305.58 34259.76 527.48 o 1 5 8 19706.79 19801.51 248.83 o 2 5 8 2018.11 1939.25 100.85 o 3 5 8 22054.76 22496.15 356.10 o 4 5 8 217.89 430.14 75.66 o 5 5 8 31.81 462.76 126.43 o 0 6 8 59604.63 61255.53 1001.42 o 1 6 8 3191.38 3067.92 99.71 o 2 6 8 536.91 838.56 102.63 o 3 6 8 3344.47 3324.06 128.83 o 4 6 8 3152.86 3439.63 125.32 o 5 6 8 17982.26 18720.10 437.02 o 6 6 8 36041.89 37618.34 1336.48 o 0 7 8 4364.91 4135.22 252.37 o 1 7 8 1385.92 1284.20 95.50 o 2 7 8 19312.54 19314.98 256.48 o 3 7 8 27196.76 28113.51 536.56 o 4 7 8 6496.28 6375.20 197.39 o 5 7 8 6074.74 5970.17 189.59 o 0 8 8 8183.57 7829.32 460.56 o 1 8 8 14255.13 13990.22 287.85 o 2 8 8 14698.91 14988.65 320.57 o 3 8 8 2978.43 3023.20 169.02 o 1 2 9 111614.48 111144.70 999.88 o 1 3 9 4546.49 4538.09 112.51 o 2 3 9 8288.10 8452.14 196.06 o 1 4 9 38672.59 39429.92 526.27 o 2 4 9 3178.10 3452.95 125.02 o 3 4 9 158.37 420.09 69.11 o 1 5 9 3944.29 3984.67 114.91 o 2 5 9 54030.95 55256.32 828.02 o 3 5 9 2600.55 2784.16 103.87 o 4 5 9 22924.62 24580.69 607.87 o 1 6 9 3600.66 3550.64 150.48 o 2 6 9 9689.82 10137.01 259.11 o 3 6 9 3484.24 3733.26 145.19 o 4 6 9 7613.34 7962.16 228.07 o 5 6 9 867.85 853.89 105.42 o 1 7 9 1243.51 1315.88 112.98 o 2 7 9 4872.58 5170.25 197.66 o 3 7 9 1583.28 1570.47 135.72 o 4 7 9 18303.78 18778.70 598.30 o 1 8 9 11207.04 10981.86 338.80 o 2 8 9 2519.22 2546.07 165.78 o 0 0 10 219873.56 218729.77 3250.13 o 0 1 10 15212.42 14946.85 376.06 o 1 1 10 1308.09 1758.28 195.02 o 0 2 10 76876.13 76033.33 1363.79 o 1 2 10 14955.10 14966.99 207.41 o 2 2 10 26371.49 26641.56 389.09 o 0 3 10 13355.52 13497.10 425.16 o 1 3 10 45864.07 45615.23 471.38 o 2 3 10 11249.18 11278.73 260.34 o 3 3 10 162479.80 170996.67 2331.68 o 0 4 10 6152.00 6497.95 453.22 o 1 4 10 10513.34 10578.95 187.28 o 2 4 10 20735.16 21173.20 232.18 o 3 4 10 10743.69 10920.54 179.45 o 4 4 10 365.47 333.32 104.83 o 0 5 10 10684.23 10558.67 223.51 o 1 5 10 28481.09 28320.48 369.16 o 2 5 10 8520.42 8242.97 186.25 o 3 5 10 84124.01 87531.81 941.56 o 4 5 10 6234.44 6398.27 211.01 o 5 5 10 302.23 561.61 140.54 o 0 6 10 176717.70 182721.81 2536.01 o 1 6 10 7689.34 7601.22 164.02 o 2 6 10 32450.36 32948.55 476.07 o 3 6 10 6268.37 6324.96 161.24 o 4 6 10 22065.75 22153.16 444.86 o 5 6 10 5958.85 6041.35 186.71 o 0 7 10 4734.64 4586.80 271.98 o 1 7 10 199.32 444.92 101.20 o 2 7 10 6768.43 6737.23 192.53 o 3 7 10 12486.06 12612.38 355.09 o 1 2 11 112351.58 113101.78 1215.62 o 1 3 11 2915.39 2748.65 102.21 o 2 3 11 4849.89 4830.95 114.24 o 1 4 11 49221.40 49407.04 550.36 o 2 4 11 2168.07 2240.99 106.23 o 3 4 11 347.98 604.18 76.66 o 1 5 11 2440.78 2280.98 106.00 o 2 5 11 54461.70 55469.48 913.30 o 3 5 11 1737.24 1783.40 115.98 o 4 5 11 27895.85 28121.45 536.39 o 1 6 11 1558.44 1762.91 172.26 o 2 6 11 6536.26 6545.50 154.72 o 3 6 11 2615.06 2868.77 162.14 o 4 6 11 5186.08 5055.48 182.29 o 1 7 11 1016.22 870.63 118.65 o 2 7 11 9334.93 9048.47 319.63 o 0 0 12 93543.31 91189.02 2510.46 o 0 1 12 10070.34 10151.76 348.33 o 1 1 12 546.56 952.83 162.90 o 0 2 12 358.27 509.95 108.64 o 1 2 12 1599.93 1530.37 79.67 o 2 2 12 7853.29 7479.72 175.04 o 0 3 12 4542.71 4569.05 166.56 o 1 3 12 27145.97 25460.19 305.96 o 2 3 12 12251.69 11994.70 194.02 o 3 3 12 6180.49 7103.64 430.05 o 0 4 12 8585.95 8835.52 308.85 o 1 4 12 9529.87 9589.08 228.76 o 2 4 12 5763.93 5071.96 166.23 o 3 4 12 182.93 396.43 85.22 o 4 4 12 23957.47 24717.98 813.67 o 0 5 12 763.70 839.47 216.85 o 1 5 12 7268.73 6460.61 180.91 o 2 5 12 7270.89 7499.40 185.41 o 3 5 12 1951.51 1657.88 130.44 o 4 5 12 15565.88 16223.50 417.18 o 5 5 12 305.57 624.05 163.80 o 0 6 12 12585.32 12759.84 521.83 o 1 6 12 4453.95 4348.01 163.63 o 2 6 12 63.69 369.40 86.47 o 3 6 12 3594.17 3639.47 172.30 o 0 7 12 26728.13 27194.09 865.76 o 1 7 12 11.10 359.97 116.22 o 1 2 13 55904.64 55687.46 677.29 o 1 3 13 594.66 506.44 76.78 o 2 3 13 8347.00 8046.19 143.68 o 1 4 13 84383.13 84751.56 1314.80 o 2 4 13 408.54 516.41 91.05 o 3 4 13 10.07 322.74 73.50 o 1 5 13 600.08 688.66 107.50 o 2 5 13 31506.07 31146.72 498.18 o 3 5 13 371.93 483.50 105.54 o 4 5 13 50630.94 52544.29 1129.21 o 1 6 13 4899.65 4686.87 181.77 o 2 6 13 1370.72 1393.31 132.22 o 0 0 14 185994.98 178133.06 3214.06 o 0 1 14 5857.32 5426.63 178.18 o 1 1 14 37285.85 38218.41 692.27 o 0 2 14 57929.77 59926.40 1145.57 o 1 2 14 9909.10 9638.09 165.68 o 2 2 14 2142.92 1431.47 139.73 o 0 3 14 6696.23 6097.61 244.60 o 1 3 14 26094.78 24244.68 331.79 o 2 3 14 3517.70 3390.88 129.02 o 3 3 14 159698.03 168107.53 3822.25 o 0 4 14 76213.38 80169.20 1576.94 o 1 4 14 3797.32 3798.24 142.74 o 2 4 14 884.68 586.18 99.94 o 3 4 14 11087.22 10797.81 253.96 o 4 4 14 5815.05 5205.84 255.22 o 0 5 14 12851.20 12696.13 374.29 o 1 5 14 6595.80 6865.50 270.69 o 2 5 14 3162.57 3178.26 154.14 o 3 5 14 6394.09 5642.66 191.09 o 1 2 15 890.00 904.97 85.90 o 1 3 15 2898.03 2613.49 134.73 o 2 3 15 4869.20 4486.96 152.02 o 1 4 15 1581.84 1809.02 154.76 o 2 4 15 2171.19 1999.12 145.09 o 3 4 15 2.36 327.97 104.64 o 0 0 16 31542.83 31136.11 1485.54 o 0 1 16 630.04 507.04 103.90 o 1 1 16 1599.37 1017.38 139.43 o 0 2 16 26388.40 23641.88 491.76 o 1 2 16 2895.92 2712.91 133.34 o 2 2 16 2422.49 3173.04 273.41 o 0 3 16 1411.88 1228.16 167.85 o 1 3 16 5237.22 5587.72 184.85 o 2 3 16 135.26 259.51 88.10 o 0 4 16 3047.07 2414.62 225.33 o 1 2 17 88514.13 85816.82 1202.26 o