# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_Sr2TeCu2O6Br2 _shelx_title ' rt134-4' _shelx_refln_list_code 4 _shelx_F_calc_maximum 310.74 _exptl_crystal_F_000 608.00 _reflns_d_resolution_high 0.7582 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 9.4217 _cell_length_b 5.1788 _cell_length_c 9.3884 _cell_angle_alpha 90.000 _cell_angle_beta 94.920 _cell_angle_gamma 90.000 _shelx_F_squared_multiplier 1.000 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 4314.33 3934.64 575.96 o 3 0 0 35076.68 35212.17 1174.82 o 4 0 0 35.70 130.83 356.15 o 5 0 0 250.99 467.99 318.38 o 6 0 0 4827.06 4974.52 613.25 o 7 0 0 3552.69 3562.81 280.52 o 8 0 0 5568.41 5922.62 376.71 o 9 0 0 4794.43 6297.30 507.49 o 10 0 0 5498.10 7566.10 411.62 o 11 0 0 5678.25 7606.08 675.67 o 12 0 0 144.00 144.83 449.99 o 1 1 0 805.30 811.23 359.48 o 2 1 0 2321.62 2154.01 431.53 o 3 1 0 16181.89 15602.06 503.95 o 4 1 0 1960.99 2176.63 292.18 o 5 1 0 3067.03 3595.74 538.42 o 6 1 0 4039.91 3262.37 322.88 o 7 1 0 2651.46 2270.18 272.52 o 8 1 0 1106.99 866.11 211.83 o 9 1 0 42.57 64.92 261.29 o 10 1 0 55.08 0.34 385.59 o 11 1 0 282.77 433.54 287.13 o 12 1 0 770.72 739.22 409.09 o 0 2 0 31044.62 31113.25 558.46 o 1 2 0 11813.66 12174.37 325.15 o 2 2 0 8478.96 7683.39 256.28 o 3 2 0 12001.16 10188.81 474.86 o 4 2 0 2950.91 3138.62 268.07 o 5 2 0 38.46 71.43 231.12 o 6 2 0 554.12 785.70 321.30 o 7 2 0 98.00 92.05 291.05 o 8 2 0 499.10 643.15 211.89 o 9 2 0 99.59 -124.80 251.06 o 10 2 0 2120.23 2342.89 291.57 o 11 2 0 2731.29 3148.38 348.06 o 1 3 0 760.10 602.07 167.11 o 2 3 0 817.99 748.66 222.53 o 3 3 0 16987.91 13863.32 354.34 o 4 3 0 2748.14 2882.34 242.76 o 5 3 0 2904.60 3248.72 337.53 o 6 3 0 8936.87 8415.03 768.48 o 7 3 0 544.82 514.22 215.64 o 8 3 0 660.00 284.05 260.66 o 9 3 0 59.73 127.21 343.44 o 10 3 0 16.74 92.76 252.99 o 11 3 0 31.58 -32.95 346.75 o 0 4 0 192.36 356.90 270.36 o 1 4 0 23737.14 22868.43 757.61 o 2 4 0 14392.88 12740.85 494.14 o 3 4 0 72.05 -47.50 241.73 o 4 4 0 1068.09 1317.81 211.80 o 5 4 0 8.99 53.37 188.71 o 6 4 0 1687.44 1515.22 405.38 o 7 4 0 376.45 547.17 258.54 o 8 4 0 223.04 469.23 303.63 o 9 4 0 6968.44 7502.27 687.30 o 10 4 0 128.27 500.29 415.51 o 1 5 0 47.92 345.75 250.99 o 2 5 0 1357.43 1514.55 215.17 o 3 5 0 34.53 -149.91 218.32 o 4 5 0 546.37 380.71 206.11 o 5 5 0 288.25 566.21 279.23 o 6 5 0 74.51 70.56 296.69 o 7 5 0 148.60 -429.05 694.74 o 8 5 0 42.07 -247.27 299.19 o 0 6 0 944.17 1033.49 377.47 o 1 6 0 7833.47 8970.62 570.85 o 2 6 0 6205.48 6585.66 430.48 o 3 6 0 162.55 58.20 237.10 o 4 6 0 168.97 155.08 293.35 o 5 6 0 367.00 181.69 291.07 o -12 1 1 187.63 200.24 393.78 o -11 1 1 61.10 -61.51 345.96 o -10 1 1 5.11 -15.99 304.17 o -9 1 1 2367.16 2679.41 245.78 o -8 1 1 33.46 -12.38 260.66 o -7 1 1 1274.97 1321.62 241.95 o -6 1 1 53873.95 48087.05 1141.04 o -5 1 1 6555.80 5498.29 261.57 o -4 1 1 11740.74 12507.76 855.48 o -3 1 1 55133.12 63699.43 641.65 o -2 1 1 9598.54 9314.83 387.46 o -1 1 1 5926.36 5395.35 404.77 o 0 1 1 3743.72 3518.77 422.34 o 1 1 1 6522.34 7244.34 383.02 o 2 1 1 3711.58 4606.60 325.28 o 3 1 1 26512.04 27617.63 1210.85 o 4 1 1 11516.60 9553.53 369.38 o 5 1 1 14967.50 13601.95 515.98 o 6 1 1 800.69 815.31 174.04 o 7 1 1 9957.52 9905.66 775.30 o 8 1 1 6389.58 6203.00 543.54 o 9 1 1 8789.26 8669.29 692.91 o 10 1 1 281.69 216.72 274.86 o 11 1 1 20.45 80.95 242.11 o 12 1 1 3266.97 4245.89 459.58 o -11 2 1 1537.25 1636.09 394.82 o -10 2 1 850.07 823.55 294.13 o -9 2 1 5675.94 5898.84 491.90 o -8 2 1 1197.45 1073.25 231.10 o -7 2 1 203.67 335.53 214.41 o -6 2 1 74.06 -44.91 306.03 o -5 2 1 1436.99 1272.76 215.92 o -4 2 1 2354.88 2342.38 247.90 o -3 2 1 26059.65 24784.09 355.02 o -2 2 1 6661.96 5919.49 257.39 o -1 2 1 4557.25 4457.80 261.32 o 0 2 1 31296.56 31503.66 396.68 o 1 2 1 10820.24 12548.38 295.47 o 2 2 1 6568.44 7017.56 276.91 o 3 2 1 735.40 675.74 220.43 o 4 2 1 119.13 44.25 219.97 o 5 2 1 1024.84 963.03 268.42 o 6 2 1 12677.62 12147.98 345.84 o 7 2 1 2651.36 2726.93 250.76 o 8 2 1 1774.08 1865.08 327.71 o 9 2 1 5779.22 5475.18 376.18 o 10 2 1 746.23 768.35 242.43 o 11 2 1 419.33 288.57 312.58 o -11 3 1 6.35 148.93 344.14 o -10 3 1 194.52 2.12 271.75 o -9 3 1 8.67 54.85 514.32 o -8 3 1 2164.11 2090.71 298.59 o -7 3 1 4331.92 4350.11 269.17 o -6 3 1 139.60 161.73 217.89 o -5 3 1 11922.88 10108.74 291.17 o -4 3 1 12357.85 12384.14 308.25 o -3 3 1 5164.57 4487.68 209.13 o -2 3 1 10494.54 9334.73 254.87 o -1 3 1 1200.52 1071.75 192.31 o 0 3 1 2016.81 2042.84 184.14 o 1 3 1 1003.52 907.26 170.88 o 2 3 1 1246.44 1146.53 195.88 o 3 3 1 6402.66 5286.94 231.02 o 4 3 1 31.05 -122.64 208.62 o 5 3 1 1603.48 1390.59 228.06 o 6 3 1 9442.37 8271.63 259.63 o 7 3 1 4724.12 5065.61 615.95 o 8 3 1 7318.21 6896.59 889.72 o 9 3 1 3062.31 3097.58 559.71 o 10 3 1 3170.86 3320.77 295.20 o -10 4 1 54.55 -223.55 364.88 o -9 4 1 1121.94 971.63 340.37 o -8 4 1 25.32 209.50 260.61 o -7 4 1 7.69 -78.55 265.85 o -6 4 1 96.00 55.77 291.70 o -5 4 1 164.55 81.86 188.69 o -4 4 1 86.66 91.03 191.23 o -3 4 1 3135.65 3014.06 259.49 o -2 4 1 528.46 429.20 181.65 o -1 4 1 204.48 288.95 208.06 o 0 4 1 5628.38 5505.63 250.52 o 1 4 1 390.51 451.84 234.20 o 2 4 1 21.65 146.74 226.65 o 3 4 1 68.33 71.06 199.00 o 4 4 1 24.08 -150.28 203.21 o 5 4 1 387.08 270.40 246.44 o 6 4 1 2859.77 2518.56 300.87 o 7 4 1 194.76 219.11 230.85 o 8 4 1 440.34 435.22 296.76 o 9 4 1 292.77 780.43 315.55 o -8 5 1 2310.49 2325.19 600.96 o -7 5 1 4304.50 4163.87 1058.02 o -6 5 1 84.98 75.62 281.15 o -5 5 1 14210.10 15485.95 306.91 o -4 5 1 12368.96 12776.23 387.26 o -3 5 1 338.74 222.85 220.14 o -2 5 1 2718.87 2742.35 327.75 o -1 5 1 1086.89 1217.19 234.92 o 0 5 1 3939.12 4485.68 279.72 o 1 5 1 1305.16 1770.36 232.64 o 2 5 1 1054.05 1281.58 289.13 o 3 5 1 9994.93 10906.67 291.26 o 4 5 1 263.84 183.39 203.47 o 5 5 1 83.00 -52.10 309.68 o 6 5 1 8236.63 9237.59 453.57 o 7 5 1 2552.86 3002.33 997.10 o 8 5 1 1667.82 1412.99 366.02 o -5 6 1 3.16 156.28 283.29 o -4 6 1 420.24 196.91 270.75 o -3 6 1 853.59 755.04 239.45 o -2 6 1 2901.57 2816.03 235.89 o -1 6 1 2346.14 2438.89 259.64 o 0 6 1 1280.99 1480.15 296.23 o 1 6 1 507.78 370.37 270.69 o 2 6 1 27.35 75.54 269.82 o 3 6 1 316.47 368.51 244.26 o 4 6 1 340.81 53.15 276.66 o 5 6 1 515.59 518.08 322.08 o -12 0 2 7507.61 9778.45 511.36 o -11 0 2 157.80 180.78 373.86 o -10 0 2 2234.90 2555.05 408.43 o -9 0 2 17333.89 19765.95 1337.19 o -8 0 2 4953.75 5234.90 860.58 o -7 0 2 7510.10 8674.55 756.07 o -6 0 2 25.69 143.45 316.58 o -5 0 2 12684.22 11571.24 859.80 o -4 0 2 3686.10 3147.33 556.59 o -3 0 2 59329.66 66458.30 5430.59 o -2 0 2 13414.57 18407.26 783.02 o -1 0 2 13906.24 15569.63 1421.25 o 0 0 2 1371.77 1195.01 561.16 o 1 0 2 29558.34 31923.59 796.12 o 2 0 2 16874.34 21953.44 1774.58 o 3 0 2 39837.09 49742.14 8593.86 o 4 0 2 232.15 271.52 351.18 o 5 0 2 663.91 800.30 241.01 o 6 0 2 45944.97 44462.08 7859.79 o 7 0 2 537.56 637.21 326.93 o 8 0 2 514.79 277.77 306.79 o 9 0 2 3175.78 3615.32 380.42 o 10 0 2 104.82 -30.63 381.76 o 11 0 2 6.81 -67.49 326.38 o 12 0 2 49.85 210.49 529.64 o -12 1 2 7.19 -10.74 346.01 o -11 1 2 202.56 278.70 253.08 o -10 1 2 368.89 320.43 371.08 o -9 1 2 2185.39 2253.90 287.28 o -8 1 2 1040.78 1077.22 198.14 o -7 1 2 160.17 218.11 224.94 o -6 1 2 7595.95 6885.01 239.56 o -5 1 2 3296.96 2829.96 244.35 o -4 1 2 2935.88 2705.36 231.79 o -3 1 2 1694.51 1827.48 263.01 o -2 1 2 110.86 292.01 279.42 o -1 1 2 854.47 1116.13 331.48 o 0 1 2 13573.92 14889.45 452.20 o 1 1 2 6073.67 6866.19 376.25 o 2 1 2 1702.83 1690.20 284.81 o 3 1 2 14524.02 17183.47 440.83 o 4 1 2 2170.16 1879.25 233.03 o 5 1 2 644.36 661.28 213.79 o 6 1 2 3.42 -72.37 236.54 o 7 1 2 75.90 179.67 193.10 o 8 1 2 170.70 184.00 170.15 o 9 1 2 2497.64 2611.90 259.89 o 10 1 2 336.35 139.65 314.39 o 11 1 2 104.54 383.60 283.03 o -11 2 2 665.49 814.63 319.68 o -10 2 2 1844.09 1850.87 370.80 o -9 2 2 6034.42 6584.57 358.48 o -8 2 2 5345.30 5426.20 302.60 o -7 2 2 3776.86 3746.45 295.34 o -6 2 2 1585.62 1751.32 298.48 o -5 2 2 2248.88 2324.07 256.82 o -4 2 2 387.93 312.10 203.16 o -3 2 2 1367.48 1176.40 193.91 o -2 2 2 665.27 609.46 194.38 o -1 2 2 1431.88 1566.68 214.54 o 0 2 2 426.88 252.60 231.65 o 1 2 2 8830.29 8247.47 345.87 o 2 2 2 24035.79 24469.35 336.11 o 3 2 2 33562.94 33357.91 1305.26 o 4 2 2 17425.80 14364.52 1204.51 o 5 2 2 10155.61 9229.04 402.06 o 6 2 2 8175.55 7334.94 269.75 o 7 2 2 187.77 123.21 223.05 o 8 2 2 23.15 330.65 248.12 o 9 2 2 200.82 155.18 241.01 o 10 2 2 75.25 -66.32 279.69 o 11 2 2 69.93 -23.75 306.89 o -11 3 2 156.43 596.11 348.78 o -10 3 2 68.85 -270.75 449.21 o -9 3 2 3156.21 3086.76 616.25 o -8 3 2 2184.36 2264.76 282.25 o -7 3 2 819.08 1158.22 355.53 o -6 3 2 9810.70 9613.34 1359.13 o -5 3 2 777.85 733.65 206.58 o -4 3 2 82.72 240.94 206.98 o -3 3 2 440.94 470.11 176.41 o -2 3 2 710.89 620.49 169.99 o -1 3 2 23.85 148.44 179.93 o 0 3 2 21532.40 18913.52 295.65 o 1 3 2 3437.67 3134.61 211.20 o 2 3 2 1745.06 1372.99 209.63 o 3 3 2 14585.69 15074.44 734.59 o 4 3 2 2475.22 2247.26 225.24 o 5 3 2 1615.13 1466.28 199.45 o 6 3 2 17.17 -110.10 200.47 o 7 3 2 70.97 -229.69 229.69 o 8 3 2 29.69 -121.45 249.85 o 9 3 2 2974.55 3474.72 617.39 o 10 3 2 1248.13 1253.73 275.49 o -10 4 2 2895.94 1971.90 505.33 o -9 4 2 508.27 228.64 299.40 o -8 4 2 3979.50 4114.69 384.93 o -7 4 2 1906.09 2127.17 280.23 o -6 4 2 5398.12 6042.62 421.71 o -5 4 2 445.62 402.73 237.33 o -4 4 2 907.98 760.66 242.32 o -3 4 2 10884.14 10477.26 238.50 o -2 4 2 2955.31 2897.90 206.11 o -1 4 2 66.01 75.92 188.65 o 0 4 2 13115.28 12546.96 307.29 o 1 4 2 3504.78 3441.83 280.42 o 2 4 2 9763.27 10069.37 331.54 o 3 4 2 2997.20 3011.49 263.83 o 4 4 2 16816.27 16544.40 363.93 o 5 4 2 10981.88 10279.38 442.28 o 6 4 2 885.97 677.20 219.21 o 7 4 2 4859.95 5627.13 564.39 o 8 4 2 1473.38 1373.50 300.29 o 9 4 2 647.06 528.51 393.75 o -8 5 2 190.03 211.18 433.59 o -7 5 2 289.39 202.12 373.24 o -6 5 2 39.47 59.70 281.66 o -5 5 2 1015.48 937.32 280.95 o -4 5 2 123.66 27.15 203.17 o -3 5 2 173.39 -200.13 243.15 o -2 5 2 8.09 -32.57 195.84 o -1 5 2 755.94 922.55 253.27 o 0 5 2 3.73 -239.38 239.38 o 1 5 2 488.45 512.40 224.78 o 2 5 2 166.63 211.67 236.56 o 3 5 2 191.41 356.86 229.91 o 4 5 2 145.65 -28.09 219.31 o 5 5 2 114.44 131.05 278.31 o 6 5 2 89.89 202.75 265.27 o 7 5 2 21.80 -374.18 374.18 o 8 5 2 180.54 824.18 488.66 o -5 6 2 14.68 -157.24 284.49 o -4 6 2 3.79 -25.60 321.89 o -3 6 2 1936.29 2040.98 297.41 o -2 6 2 404.74 481.05 281.79 o -1 6 2 62.18 96.51 260.82 o 0 6 2 3574.51 3635.55 310.28 o 1 6 2 2391.83 2194.95 312.78 o 2 6 2 1564.71 1521.58 262.01 o 3 6 2 1031.26 1099.82 291.52 o 4 6 2 4560.92 4791.86 321.15 o 5 6 2 2307.48 2227.94 322.37 o -12 1 3 465.25 570.73 455.59 o -11 1 3 3480.91 4317.70 1076.19 o -10 1 3 1523.86 1496.90 285.74 o -9 1 3 3350.48 3311.14 361.67 o -8 1 3 2540.77 1978.80 222.74 o -7 1 3 522.23 498.86 230.30 o -6 1 3 2339.17 2148.89 237.75 o -5 1 3 3617.96 3175.38 307.12 o -4 1 3 6051.06 5751.82 241.19 o -3 1 3 27573.79 26904.04 941.79 o -2 1 3 3574.93 3576.36 286.32 o -1 1 3 10746.97 11412.35 969.69 o 0 1 3 96561.43 117740.85 987.70 o 1 1 3 467.98 710.90 323.78 o 2 1 3 574.57 780.81 250.39 o 3 1 3 12940.59 14154.22 337.51 o 4 1 3 339.17 364.75 228.76 o 5 1 3 189.51 226.25 164.67 o 6 1 3 1195.62 977.95 195.01 o 7 1 3 4010.35 3728.11 380.83 o 8 1 3 3700.12 3552.36 265.06 o 9 1 3 349.29 250.91 232.67 o 10 1 3 7080.33 7891.55 706.74 o 11 1 3 4660.67 4995.07 404.19 o -11 2 3 597.91 410.89 331.02 o -10 2 3 102.87 275.67 310.36 o -9 2 3 2.75 9.26 267.71 o -8 2 3 102.84 300.80 307.34 o -7 2 3 186.53 -10.81 254.11 o -6 2 3 11043.30 10197.66 412.46 o -5 2 3 5031.22 4253.42 252.41 o -4 2 3 797.27 769.70 201.57 o -3 2 3 25596.20 23290.41 313.94 o -2 2 3 5850.62 6225.44 243.68 o -1 2 3 1778.19 2129.61 222.58 o 0 2 3 7.42 -15.59 195.83 o 1 2 3 345.89 418.91 237.79 o 2 2 3 470.48 469.95 182.62 o 3 2 3 18173.41 17619.28 545.51 o 4 2 3 4810.55 4749.38 200.16 o 5 2 3 731.34 1072.68 195.54 o 6 2 3 14464.24 13029.69 513.30 o 7 2 3 1782.97 1388.74 194.64 o 8 2 3 746.88 615.74 236.38 o 9 2 3 8.44 43.06 249.98 o 10 2 3 58.32 306.60 282.74 o 11 2 3 48.15 -198.82 348.94 o -10 3 3 138.71 -219.71 417.77 o -9 3 3 2198.57 2442.57 281.12 o -8 3 3 157.88 428.18 238.88 o -7 3 3 6.21 -132.99 292.93 o -6 3 3 779.07 766.31 194.79 o -5 3 3 113.64 123.40 214.48 o -4 3 3 5461.74 5130.66 255.55 o -3 3 3 7289.63 7164.29 302.55 o -2 3 3 30507.82 27483.46 439.44 o -1 3 3 32458.68 31456.38 389.25 o 0 3 3 4508.60 3691.03 643.80 o 1 3 3 16938.04 15228.42 263.79 o 2 3 3 4234.34 4135.51 250.57 o 3 3 3 38.74 54.50 240.61 o 4 3 3 677.50 746.11 214.59 o 5 3 3 13.25 -76.66 192.90 o 6 3 3 472.67 256.22 188.09 o 7 3 3 5.49 153.45 257.48 o 8 3 3 301.74 295.77 286.52 o 9 3 3 4780.55 5389.34 304.05 o 10 3 3 779.20 527.47 278.33 o -9 4 3 520.26 210.04 347.36 o -8 4 3 434.83 650.03 313.14 o -7 4 3 1.53 -82.95 289.61 o -6 4 3 1241.76 1160.27 227.28 o -5 4 3 309.29 175.18 209.15 o -4 4 3 19.08 6.96 190.20 o -3 4 3 3312.10 3107.14 202.84 o -2 4 3 34.77 -114.46 237.66 o -1 4 3 224.17 94.14 195.42 o 0 4 3 19.58 65.15 236.74 o 1 4 3 11.00 81.78 198.29 o 2 4 3 809.99 1123.61 216.51 o 3 4 3 2911.13 3172.86 329.62 o 4 4 3 948.89 1176.21 259.48 o 5 4 3 1156.30 1123.51 245.62 o 6 4 3 183.78 233.23 199.14 o 7 4 3 706.79 295.01 308.31 o 8 4 3 550.27 782.35 328.85 o 9 4 3 0.04 -17.97 407.42 o -8 5 3 1065.63 991.77 575.84 o -7 5 3 186.63 124.01 323.05 o -6 5 3 3168.45 3987.63 305.54 o -5 5 3 564.10 538.26 238.05 o -4 5 3 1592.97 1660.45 228.83 o -3 5 3 428.14 680.63 229.81 o -2 5 3 10525.70 11094.68 347.95 o -1 5 3 8096.65 9394.52 269.66 o 0 5 3 396.91 265.74 261.70 o 1 5 3 13443.82 14001.20 289.00 o 2 5 3 5767.14 5810.64 421.43 o 3 5 3 728.31 761.36 243.50 o 4 5 3 220.82 40.66 293.01 o 5 5 3 86.73 269.16 249.26 o 6 5 3 893.18 815.78 308.27 o 7 5 3 217.14 -13.04 310.49 o -5 6 3 1391.36 1790.85 300.53 o -4 6 3 777.87 779.49 277.22 o -3 6 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