List of calculated and observed squared structure factors for the structure of kurilite h k l Fc Fo sigma(Fo) ------------------------------------------------ -1 2 0 30209.08 28531.78 108.64 o 0 3 0 813.84 787.30 254.50 o -2 4 0 727128.75 684569.25 349.75 o -4 5 0 833201.44 784791.38 20690.04 o -1 5 0 679786.63 640245.31 6381.74 o -3 6 0 40616.35 38309.77 163.71 o 0 6 0 476484.41 449090.88 15122.39 o -5 7 0 9626030.00 9056677.00 844748.13 o -2 7 0 22771.96 21541.34 14174.36 o -7 8 0 49870.30 46944.75 4729.75 o -4 8 0 30302.45 28638.94 226.22 o -1 8 0 929941.94 875446.81 302.12 o -6 9 0 44453.49 41781.92 946.54 o -3 9 0 1006.76 907.85 3415.60 o 0 9 0 343623.28 322176.50 440.53 o -8 10 0 2.01 1.49 488.16 o -5 10 0 99898.35 93609.72 211.34 o -2 10 0 4639.26 4342.80 1394.52 o -10 11 0 118238.42 111719.09 3753.44 o -7 11 0 15347.75 14327.65 590.85 o -4 11 0 1227866.50 1154225.00 8298.64 o -1 11 0 256869.63 241638.31 3207.24 o -9 12 0 1286229.00 1208136.50 15189.37 o -6 12 0 381772.00 358820.84 2955.72 o -3 12 0 109175.85 102429.25 5115.21 o 0 12 0 1853.62 1791.89 284.26 o -11 13 0 149380.48 140573.81 1159.37 o -8 13 0 7705.81 7247.91 2341.06 o -5 13 0 48742.52 46157.46 2419.94 o -2 13 0 38.62 35.72 562.57 o -13 14 0 53829.14 50424.35 952.50 o -10 14 0 10979.42 10380.74 1841.00 o -7 14 0 46710.20 43600.59 366.12 o -4 14 0 143542.11 134891.58 5395.01 o -1 14 0 6627.79 6253.74 1055.19 o -12 15 0 24333.22 23029.62 2367.85 o -9 15 0 6266.15 5895.07 245.57 o -6 15 0 34074.61 32090.25 267.89 o -3 15 0 67725.92 63607.52 327.42 o 0 15 0 373.82 340.82 378.02 o -14 16 0 49639.23 46444.70 404.81 o -11 16 0 18472.02 17389.04 959.94 o -8 16 0 9463.63 8971.34 1945.18 o -5 16 0 3529.74 3370.95 398.86 o -2 16 0 183176.50 171906.53 2250.28 o -16 17 0 69839.05 65372.61 1617.76 o -13 17 0 301.74 291.70 654.84 o -10 17 0 8246.00 7712.26 378.02 o -7 17 0 29608.75 27875.45 843.85 o -4 17 0 63.27 62.51 657.82 o -1 17 0 7036.12 6724.04 623.59 o -15 18 0 62.58 56.55 1043.28 o -12 18 0 46454.48 43651.20 383.98 o -9 18 0 34031.66 31797.06 983.75 o -6 18 0 73867.28 69176.66 1890.11 o -3 18 0 10957.98 10291.44 872.13 o 0 18 0 702.89 669.73 413.74 o -17 19 0 3812.26 3613.54 431.60 o -14 19 0 38194.27 35880.89 1022.45 o -11 19 0 16882.06 15839.74 825.99 o -8 19 0 13.35 11.91 805.16 o -5 19 0 615.14 570.01 348.26 o -2 19 0 20472.58 19166.04 1140.02 o -16 20 0 16.27 14.88 570.01 o -13 20 0 6933.00 6572.24 558.10 o -10 20 0 9242.92 8746.61 1317.13 o -7 20 0 978.10 889.99 516.43 o -4 20 0 3752.71 3530.20 482.20 o -15 21 0 5345.25 5015.50 565.55 o -12 21 0 4783.23 4445.49 425.65 o -9 21 0 9455.92 8879.07 864.69 o -6 21 0 13063.71 12261.92 782.83 o -14 22 0 999.88 918.27 556.62 o -11 22 0 338.79 322.96 462.85 o -8 22 0 198.51 180.08 544.71 o -1 1 1 7278.05 6862.45 37.21 o -3 2 1 160165.78 150981.34 183.06 o 0 2 1 25855.69 24394.37 2259.21 o -5 3 1 11946.74 11004.33 5837.03 o -2 3 1 3409.28 3245.93 419.69 o 1 3 1 19849.94 18680.87 494.11 o -7 4 1 1750661.50 1645854.00 1430.24 o -4 4 1 930339.19 875658.19 257.47 o -1 4 1 382531.00 361081.56 15149.18 o 2 4 1 321978.16 301918.03 13302.23 o -9 5 1 146683.70 137841.34 6825.24 o -6 5 1 3255.82 3123.90 381.00 o -3 5 1 493686.41 464819.00 153.29 o 0 5 1 391397.50 368668.81 7798.58 o 3 5 1 635124.25 598661.38 297.66 o -11 6 1 338349.81 318676.06 3168.54 o -8 6 1 17946.83 17076.50 10733.46 o -5 6 1 1511317.38 1421665.75 11700.84 o -2 6 1 174167.56 164026.11 8568.02 o 1 6 1 428934.94 404249.06 1151.93 o 4 6 1 101881.37 95909.10 1610.32 o -13 7 1 14051.84 13221.86 3543.59 o -10 7 1 207874.30 194851.31 8463.84 o -7 7 1 468757.63 440531.81 1208.48 o -4 7 1 137199.95 129733.20 4579.43 o -1 7 1 641635.50 603283.94 13599.88 o 2 7 1 25960.26 24522.36 150.32 o 5 7 1 199801.11 187484.34 4710.40 o -15 8 1 12846.18 12269.36 1009.05 o -12 8 1 1730.60 1629.66 514.94 o -9 8 1 24386.07 23050.45 385.46 o -6 8 1 936.47 897.43 619.12 o -3 8 1 99550.59 94559.23 869.15 o 0 8 1 378.59 337.84 1488.28 o 3 8 1 278839.22 262035.17 2515.19 o 6 8 1 1667.72 1593.95 285.75 o -17 9 1 103743.50 97065.50 1943.69 o -14 9 1 3341.11 3104.55 1119.19 o -11 9 1 4033.39 3857.62 227.71 o -8 9 1 77934.36 73242.63 205.38 o -5 9 1 84976.82 79752.36 319.98 o -2 9 1 157422.00 148667.08 2589.60 o 1 9 1 357474.63 336685.72 12078.87 o 4 9 1 52434.75 49439.11 711.40 o 7 9 1 7569.33 7091.65 1653.48 o -19 10 1 1818.43 1702.59 467.32 o -16 10 1 67661.61 63787.60 575.96 o -13 10 1 69337.20 65360.71 308.07 o -10 10 1 4644.93 4516.92 425.65 o -7 10 1 694.35 619.12 930.17 o -4 10 1 4.24 5.95 264.91 o -1 10 1 118744.36 110976.43 1083.47 o 2 10 1 42801.34 40573.44 2094.01 o 5 10 1 3531.14 3418.57 762.00 o 8 10 1 15012.17 14113.34 471.78 o -21 11 1 4398.79 4094.25 674.19 o -18 11 1 1157.56 1070.07 575.96 o -15 11 1 128356.92 120659.17 401.84 o -12 11 1 4611.59 4412.74 1172.76 o -9 11 1 593711.50 559119.31 211.34 o -6 11 1 803577.00 756628.69 6722.55 o -3 11 1 104990.27 98470.43 1835.05 o 0 11 1 394005.38 369188.22 9492.24 o 3 11 1 147.29 125.02 584.89 o 6 11 1 11275.18 10648.63 497.08 o 9 11 1 13539.12 12584.88 412.25 o -20 12 1 467.11 467.32 645.91 o -17 12 1 28044.87 26165.42 1559.72 o -14 12 1 35759.63 33690.15 1107.28 o -11 12 1 67849.73 63671.51 4400.84 o -8 12 1 843.67 782.83 720.33 o -5 12 1 19025.83 18008.16 233.66 o -2 12 1 4907.65 4616.64 1293.31 o 1 12 1 89398.66 84136.83 2457.15 o 4 12 1 17258.52 16290.69 357.19 o 7 12 1 468.64 437.55 1015.01 o 10 12 1 10584.69 9986.35 660.80 o -22 13 1 10215.39 9602.37 465.83 o -19 13 1 6711.46 6338.58 584.89 o -16 13 1 12053.11 11459.74 379.51 o -13 13 1 62249.44 58627.74 629.54 o -10 13 1 13912.45 13145.96 942.08 o -7 13 1 355715.00 332912.94 9898.54 o -4 13 1 2343.54 2238.37 1427.26 o -1 13 1 28261.61 26757.75 239.61 o 2 13 1 2792.78 2638.72 903.38 o 5 13 1 4417.48 4205.87 360.16 o 8 13 1 20805.27 19465.19 712.89 o -21 14 1 151.91 139.90 955.47 o -18 14 1 1520.79 1449.58 684.61 o -15 14 1 129513.73 121638.45 3073.29 o -12 14 1 343.22 306.59 648.89 o -9 14 1 11980.54 11275.19 617.64 o -6 14 1 233933.19 220178.84 1330.52 o -3 14 1 7171.93 6706.18 574.48 o 0 14 1 4597.33 4281.78 741.16 o 3 14 1 68821.00 64725.21 1416.84 o 6 14 1 21163.50 19890.84 409.28 o -20 15 1 697.03 681.63 397.37 o -17 15 1 39746.84 37308.16 1013.52 o -14 15 1 6062.34 5746.24 424.16 o -11 15 1 8330.58 7838.76 903.38 o -8 15 1 172478.05 162278.86 1079.00 o -5 15 1 30606.31 28610.66 803.67 o -2 15 1 2457.89 2312.78 333.37 o 1 15 1 15394.21 14464.58 921.24 o 4 15 1 1306.59 1253.13 364.63 o -19 16 1 2410.82 2227.95 824.51 o -16 16 1 435.06 406.30 522.39 o -13 16 1 92089.84 86544.86 465.83 o -10 16 1 4555.85 4345.77 288.73 o -7 16 1 6865.92 6485.92 534.29 o -4 16 1 162084.05 151762.69 2041.92 o -1 16 1 18913.88 17828.08 447.97 o 2 16 1 49.20 49.11 878.08 o 5 16 1 254.35 224.73 507.50 o -18 17 1 18.83 13.39 759.02 o -15 17 1 21014.69 19692.90 363.14 o -12 17 1 1925.26 1763.61 663.77 o -9 17 1 23824.94 22426.86 919.76 o -6 17 1 7237.65 6810.36 1015.01 o -3 17 1 44939.41 42197.15 514.94 o 0 17 1 1667.33 1528.46 543.22 o 3 17 1 7.13 5.95 431.60 o -20 18 1 11900.94 11148.69 459.88 o -17 18 1 100.84 87.81 491.13 o -14 18 1 10488.90 9696.13 607.22 o -11 18 1 52284.42 48809.57 1166.81 o -8 18 1 0.64 0.00 449.46 o -5 18 1 56986.18 54493.30 2336.60 o -2 18 1 49.61 44.65 802.18 o 1 18 1 9107.07 8776.38 446.48 o -19 19 1 1883.75 1818.68 647.40 o -16 19 1 16158.94 15466.19 753.07 o -13 19 1 9321.30 8905.86 1448.09 o -10 19 1 20722.70 19853.63 381.00 o -7 19 1 2949.89 2830.70 462.85 o -4 19 1 2440.20 2339.57 394.39 o -1 19 1 122.48 117.57 517.92 o -18 20 1 3590.56 3421.55 506.01 o -15 20 1 8836.43 8431.10 782.83 o -12 20 1 83.95 87.81 936.13 o -9 20 1 2681.67 2561.33 977.80 o -6 20 1 38287.02 36782.79 592.33 o -3 20 1 7181.61 6886.26 543.22 o -14 21 1 344.32 336.35 409.28 o -11 21 1 8429.86 8118.56 455.41 o -8 21 1 534.61 517.92 461.37 o -5 21 1 2482.83 2367.85 532.80 o -13 22 1 12029.88 11510.34 589.36 o -10 22 1 27.54 29.77 503.04 o 0 1 2 7262.11 6902.63 1897.55 o -2 2 2 5923.85 5698.62 1137.04 o 1 2 2 607.78 587.87 1320.10 o -4 3 2 408215.94 393265.59 10261.68 o -1 3 2 311206.16 299664.78 508.99 o 2 3 2 375813.22 360696.09 31046.97 o -6 4 2 1064037.38 1022938.19 26711.62 o -3 4 2 2175.30 2122.28 3168.54 o 0 4 2 1215.30 1169.79 7925.08 o 3 4 2 3093555.75 2971319.00 88862.11 o -8 5 2 951160.00 915881.88 1988.34 o -5 5 2 71094.74 68045.56 2750.34 o -2 5 2 37953.39 36699.45 918.27 o 1 5 2 992594.25 954791.44 5923.35 o 4 5 2 21236.95 20319.46 1809.75 o -10 6 2 295089.09 283514.00 626.57 o -7 6 2 852468.81 819060.44 20137.89 o -4 6 2 1595152.25 1533005.25 25324.54 o -1 6 2 132412.48 127523.11 1532.93 o 2 6 2 1222824.13 1176553.75 6700.23 o 5 6 2 121510.28 116803.04 4204.39 o -12 7 2 1663.17 1677.29 604.24 o -9 7 2 2427.54 2403.57 258.96 o -6 7 2 633039.13 608074.69 147.34 o -3 7 2 1102682.88 1060721.13 35973.17 o 0 7 2 29827.41 28635.96 485.18 o 3 7 2 7056.40 6810.36 511.97 o 6 7 2 86662.34 83173.91 4589.85 o -14 8 2 36373.65 35022.16 346.77 o -11 8 2 74173.49 71002.77 1526.97 o -8 8 2 52541.62 50451.14 800.69 o -5 8 2 57678.56 55902.70 3375.41 o -2 8 2 266421.91 256184.75 18066.21 o 1 8 2 140110.00 134672.80 230.68 o 4 8 2 146003.75 139813.31 9469.91 o 7 8 2 94372.27 90667.39 1236.76 o -16 9 2 32766.95 31887.85 314.03 o -13 9 2 1762.57 1710.03 247.05 o -10 9 2 615381.63 590801.75 18223.96 o -7 9 2 264893.94 254702.42 157.76 o -4 9 2 353909.91 339870.63 212.82 o -1 9 2 469.79 415.23 3385.83 o 2 9 2 49098.27 47440.36 595.31 o 5 9 2 650987.94 622683.63 6767.20 o 8 9 2 48359.08 46536.97 513.46 o -18 10 2 43370.47 41421.75 458.39 o -15 10 2 75.53 68.46 299.14 o -12 10 2 157211.14 150158.33 1930.30 o -9 10 2 56744.42 54676.36 1641.57 o -6 10 2 134798.28 129959.42 376.53 o -3 10 2 13246.74 13064.11 282.77 o 0 10 2 120913.62 116509.85 6366.85 o 3 10 2 5799.23 5563.18 1473.40 o 6 10 2 3667.36 3491.50 501.55 o 9 10 2 1286.10 1238.25 412.25 o -20 11 2 33.20 29.77 389.93 o -17 11 2 39138.24 37483.77 1144.49 o -14 11 2 2301.78 2211.58 1437.68 o -11 11 2 225205.41 216419.45 3707.30 o -8 11 2 64464.46 61690.61 1718.96 o -5 11 2 121982.59 117061.99 5128.61 o -2 11 2 1212446.38 1163281.38 12739.66 o 1 11 2 21063.19 20256.95 1311.17 o 4 11 2 132641.80 127424.88 455.41 o 7 11 2 37084.72 35357.03 1044.77 o 10 11 2 68.64 71.44 415.23 o -22 12 2 1798.08 1708.54 648.89 o -19 12 2 4.16 4.46 370.58 o -16 12 2 64669.62 61815.63 904.87 o -13 12 2 85.70 84.83 501.55 o -10 12 2 23532.36 22231.90 410.76 o -7 12 2 1457.03 1449.58 1107.28 o -4 12 2 321628.88 308021.44 4408.28 o -1 12 2 69512.57 66749.27 2906.61 o 2 12 2 39470.11 37699.57 272.35 o 5 12 2 5589.70 5384.59 2689.32 o 8 12 2 10935.40 10545.94 616.15 o -21 13 2 1954.32 1851.42 492.62 o -18 13 2 785.92 747.12 887.01 o -15 13 2 45672.63 43706.26 385.46 o -12 13 2 104341.45 100039.08 1998.76 o -9 13 2 26050.31 25119.16 385.46 o -6 13 2 13938.07 13442.13 355.70 o -3 13 2 443110.31 425026.91 2357.43 o 0 13 2 30879.52 29616.73 2291.95 o 3 13 2 114.72 111.62 330.40 o 6 13 2 3867.78 3765.34 439.04 o 9 13 2 4.55 7.44 461.37 o -20 14 2 289.85 293.19 459.88 o -17 14 2 2310.64 2171.40 419.69 o -14 14 2 494.28 458.39 410.76 o -11 14 2 274421.53 262131.91 1488.28 o -8 14 2 22291.78 21263.03 2153.54 o -5 14 2 10632.38 10353.95 700.98 o -2 14 2 52971.98 50716.05 913.80 o 1 14 2 21367.88 20615.63 776.88 o 4 14 2 143.02 126.50 561.08 o 7 14 2 5721.13 5461.98 574.48 o -19 15 2 385.01 369.09 388.44 o -16 15 2 1267.60 1279.92 572.99 o -13 15 2 691.41 657.82 324.44 o -10 15 2 1265.34 1212.95 669.73 o -7 15 2 4691.23 4438.05 1629.66 o -4 15 2 20744.43 19880.42 285.75 o -1 15 2 163.24 156.27 1582.04 o 2 15 2 431.64 404.81 833.44 o 5 15 2 5007.71 4768.44 477.74 o -21 16 2 2969.71 2858.98 570.01 o -18 16 2 8151.28 7679.52 452.44 o -15 16 2 15963.59 15170.02 958.45 o -12 16 2 20768.51 20148.31 636.98 o -9 16 2 60740.29 57989.27 931.66 o -6 16 2 378.06 401.84 281.28 o -3 16 2 71970.79 68652.78 495.60 o 0 16 2 35430.00 33868.75 802.18 o 3 16 2 10968.80 10493.85 570.01 o -20 17 2 937.57 900.41 449.46 o -17 17 2 9799.22 9438.66 491.13 o -14 17 2 1531.77 1462.98 422.67 o -11 17 2 4123.27 3935.01 931.66 o -8 17 2 207.96 206.87 519.41 o -5 17 2 47.17 46.14 824.51 o -2 17 2 16196.82 15579.29 370.58 o 1 17 2 11348.52 10843.59 473.27 o -19 18 2 18.73 20.84 456.90 o -16 18 2 19476.02 18523.11 1872.25 o -13 18 2 183.18 190.50 446.48 o -10 18 2 429.36 407.79 352.72 o -7 18 2 12490.20 11904.74 404.81 o -4 18 2 9753.24 9359.78 416.72 o -1 18 2 16010.71 15345.64 440.53 o 2 18 2 33.11 35.72 476.25 o -18 19 2 7014.04 6691.30 689.07 o -15 19 2 8905.23 8521.88 401.84 o -12 19 2 2964.30 2867.91 687.58 o -9 19 2 23549.23 22409.00 790.28 o -6 19 2 1689.86 1601.39 555.13 o -3 19 2 1958.95 1826.12 433.09 o 0 19 2 6223.44 5956.09 668.24 o -17 20 2 1231.79 1186.16 442.02 o -14 20 2 29577.84 28286.21 501.55 o -11 20 2 3433.44 3280.16 595.31 o -8 20 2 2243.68 2162.47 698.00 o -5 20 2 1454.80 1379.63 447.97 o -2 20 2 7258.63 6929.42 626.57 o -16 21 2 16716.93 15906.72 495.60 o -13 21 2 269.23 257.47 482.20 o -10 21 2 536.58 546.20 538.76 o -7 21 2 34649.43 33149.91 812.60 o -12 22 2 3237.36 3091.15 581.92 o -9 22 2 550.07 528.34 528.34 o 0 0 3 3894.03 3784.69 9422.29 o 1 1 3 70621.80 67669.03 163.71 o -1 2 3 29534.47 28292.17 321.47 o 2 2 3 7300.54 7052.95 1259.08 o -3 3 3 21149.03 20109.61 272.35 o 0 3 3 2706.51 2586.63 2077.64 o 3 3 3 208662.20 200316.28 2180.33 o -5 4 3 21899.93 21349.35 111.62 o -2 4 3 194092.00 185640.36 6253.74 o 1 4 3 1506198.63 1445585.38 6987.47 o 4 4 3 407172.53 389741.34 1909.46 o -7 5 3 1015933.06 973950.00 29878.67 o -4 5 3 532574.31 511841.16 5204.51 o -1 5 3 142168.52 136555.48 357.19 o 2 5 3 17879.29 17390.53 7265.77 o 5 5 3 107600.86 102838.53 418.21 o -9 6 3 36496.00 35095.09 221.75 o -6 6 3 1554875.00 1489069.88 30390.64 o -3 6 3 62829.34 60026.72 236.64 o 0 6 3 210642.67 202724.31 7826.85 o 3 6 3 6596.14 6401.08 135.43 o 6 6 3 34651.57 33560.67 311.05 o -11 7 3 52774.26 51196.77 3845.71 o -8 7 3 9102.39 8733.22 592.33 o -5 7 3 205491.55 196881.33 4070.44 o -2 7 3 291699.56 279765.03 9813.71 o 1 7 3 78543.41 75336.64 520.90 o 4 7 3 128662.67 123924.45 1607.34 o 7 7 3 512.52 491.13 596.80 o -13 8 3 106159.64 101202.91 3899.29 o -10 8 3 31648.68 31274.68 1458.51 o -7 8 3 25375.44 24787.27 514.94 o -4 8 3 457950.03 449119.16 2131.21 o -1 8 3 373888.41 367563.00 953.99 o 2 8 3 24343.29 24120.52 212.82 o 5 8 3 6426.45 6408.53 1418.33 o 8 8 3 35926.18 35022.16 625.08 o -15 9 3 21783.53 21480.32 613.17 o -12 9 3 59273.45 57767.52 378.02 o -9 9 3 231516.34 226048.61 1525.48 o -6 9 3 16033.09 15473.63 2951.26 o -3 9 3 5926.86 5826.61 458.39 o 0 9 3 1389.11 1416.84 544.71 o 3 9 3 7940.77 7686.96 226.22 o 6 9 3 25083.11 24397.34 808.14 o 9 9 3 42291.99 41269.95 1221.88 o -17 10 3 8018.04 7992.05 318.49 o -14 10 3 108.70 119.06 287.24 o -11 10 3 65846.97 64634.43 346.77 o -8 10 3 217709.72 213347.64 2756.29 o -5 10 3 226595.91 222841.36 2690.81 o -2 10 3 21373.60 20789.76 1205.51 o 1 10 3 50716.31 49954.05 314.03 o 4 10 3 8547.64 8392.40 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