# # h,k,l, Fc-squared, Fo-squared, sigma(Fo-squared) and status flag # data_I _shelx_title ' Eu2SiS4 in P2(1)/m bei 100 K' _shelx_refln_list_code 4 _shelx_F_calc_maximum 267.59 _exptl_crystal_F_000 408.00 _reflns_d_resolution_high 0.7033 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z' '-x, -y, -z' 'x, -y-1/2, z' _cell_length_a 6.5240 _cell_length_b 6.5910 _cell_length_c 8.2050 _cell_angle_alpha 90.000 _cell_angle_beta 108.290 _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 1 0 0 453.01 543.51 53.53 o 2 0 0 23471.38 24878.98 459.73 o 3 0 0 848.06 1000.14 176.85 o 4 0 0 18054.03 17094.43 474.33 o 5 0 0 5215.04 4985.26 126.43 o 6 0 0 1983.20 2008.64 54.86 o 7 0 0 160.02 188.47 47.96 o 8 0 0 389.29 406.63 58.55 o 1 1 0 28699.50 28283.45 207.29 o 2 1 0 1941.00 2282.39 149.08 o 3 1 0 30073.33 29457.53 344.67 o 4 1 0 337.16 360.12 25.52 o 5 1 0 4706.50 4576.27 125.08 o 6 1 0 197.22 210.77 31.38 o 7 1 0 12.26 26.33 42.25 o 8 1 0 26.28 60.79 48.80 o 0 2 0 55570.29 57414.68 2349.86 o 1 2 0 5818.51 6328.53 120.17 o 2 2 0 50008.70 50066.05 977.42 o 3 2 0 1950.51 1950.26 99.21 o 4 2 0 4328.32 4399.23 325.71 o 5 2 0 261.58 926.14 354.33 o 6 2 0 7550.50 7448.25 137.54 o 7 2 0 668.36 676.71 32.04 o 8 2 0 159.80 160.69 49.18 o 1 3 0 20363.97 20076.34 182.39 o 2 3 0 1094.73 4513.88 1290.47 o 3 3 0 21785.59 20342.55 343.15 o 4 3 0 240.99 485.29 88.16 o 5 3 0 3672.68 3280.78 263.19 o 6 3 0 178.77 162.54 27.80 o 7 3 0 16.32 49.76 36.09 o 8 3 0 26.47 7.97 52.02 o 0 4 0 60562.19 56161.12 923.17 o 1 4 0 205.47 206.96 40.61 o 2 4 0 12860.42 12395.68 183.93 o 3 4 0 444.60 583.98 81.63 o 4 4 0 11272.21 10861.80 253.12 o 5 4 0 3454.39 3429.36 59.78 o 6 4 0 1270.18 1291.37 33.14 o 7 4 0 121.63 162.37 35.29 o 1 5 0 11527.88 11340.15 196.39 o 2 5 0 608.67 705.48 61.90 o 3 5 0 12954.57 12049.52 204.65 o 4 5 0 182.19 197.68 27.02 o 5 5 0 2579.55 2600.03 74.31 o 6 5 0 94.54 138.34 40.35 o 7 5 0 8.04 -11.04 61.07 o 0 6 0 16409.65 15724.35 312.93 o 1 6 0 1542.94 1477.34 28.99 o 2 6 0 17681.08 17433.58 322.19 o 3 6 0 852.37 902.07 32.14 o 4 6 0 1743.18 1776.62 56.91 o 5 6 0 75.33 58.45 33.68 o 6 6 0 3667.35 3852.52 52.44 o 1 7 0 6022.36 5986.82 111.57 o 2 7 0 281.62 300.37 31.17 o 3 7 0 7234.17 7391.35 151.56 o 4 7 0 75.05 80.83 33.02 o 5 7 0 1419.05 1435.20 74.81 o 0 8 0 16573.95 16758.69 485.31 o 1 8 0 108.13 123.50 36.47 o 2 8 0 3527.79 3606.40 85.66 o 3 8 0 175.20 202.90 39.14 o 4 8 0 3956.80 3173.58 279.82 o 1 9 0 3079.14 3238.01 215.22 o 2 9 0 136.14 32.81 41.71 o -8 0 1 1699.63 1804.42 62.18 o -7 0 1 11309.70 11494.53 235.52 o -6 0 1 1976.19 1938.16 53.17 o -5 0 1 7317.96 7417.45 185.16 o -4 0 1 1855.91 1837.89 81.24 o -3 0 1 6366.65 6455.71 121.72 o -2 0 1 65.64 2088.56 1257.84 o -1 0 1 101.67 137.44 43.60 o 0 0 1 266.26 344.04 62.19 o 1 0 1 5877.72 7277.84 1846.82 o 2 0 1 1585.79 1645.26 61.79 o 3 0 1 10738.61 10642.55 398.24 o 4 0 1 134.83 54.21 80.42 o 5 0 1 18066.54 16970.44 741.44 o 6 0 1 280.69 338.77 53.46 o 7 0 1 11251.84 11468.77 257.23 o 8 0 1 633.83 579.65 65.71 o -8 1 1 4688.76 4922.41 73.43 o -7 1 1 3573.56 3650.06 72.95 o -6 1 1 9057.73 9283.60 93.50 o -5 1 1 3519.07 3466.80 51.18 o -4 1 1 11833.49 11184.33 215.20 o -3 1 1 3074.42 3415.03 218.22 o -2 1 1 5849.06 6264.91 465.57 o -1 1 1 362.50 483.00 69.26 o 0 1 1 288.61 283.30 24.12 o 1 1 1 5.90 -5.46 88.77 o 2 1 1 6325.69 9093.63 1725.53 o 3 1 1 1899.33 1861.88 41.45 o 4 1 1 10681.21 10497.79 255.36 o 5 1 1 2638.07 2562.16 37.28 o 6 1 1 6722.80 6594.26 69.36 o 7 1 1 272.86 319.29 35.73 o 8 1 1 7144.75 7365.32 73.90 o -8 2 1 776.98 714.68 51.09 o -7 2 1 7865.65 8313.70 117.40 o -6 2 1 3080.14 3137.14 46.64 o -5 2 1 8863.76 9157.77 530.06 o -4 2 1 693.18 633.04 59.58 o -3 2 1 3549.83 3507.77 36.22 o -2 2 1 447.19 5173.62 1882.84 o -1 2 1 34.85 1844.65 638.20 o 0 2 1 482.46 1034.28 313.26 o 1 2 1 5262.87 5448.49 339.49 o 2 2 1 1136.55 1168.38 32.58 o 3 2 1 9350.82 9047.86 174.23 o 4 2 1 75.26 87.87 30.15 o 5 2 1 15253.54 14309.16 241.09 o 6 2 1 418.33 471.43 36.16 o 7 2 1 11318.25 11770.74 113.77 o 8 2 1 355.19 283.07 51.60 o -8 3 1 3995.17 4259.46 133.32 o -7 3 1 2941.33 3044.95 102.48 o -6 3 1 7332.08 7462.43 130.89 o -5 3 1 2868.55 2715.85 62.93 o -4 3 1 9151.04 8857.95 134.73 o -3 3 1 2176.08 1974.54 67.82 o -2 3 1 3877.85 3468.21 243.95 o -1 3 1 258.39 443.70 42.86 o 0 3 1 134.08 2290.04 852.67 o 1 3 1 20.71 50826.61 17857.71 o 2 3 1 4507.38 4349.23 81.50 o 3 3 1 1347.45 1558.96 239.95 o 4 3 1 8172.59 7963.87 85.03 o 5 3 1 2170.38 2171.16 37.63 o 6 3 1 5643.37 5654.81 81.94 o 7 3 1 223.01 197.68 41.38 o 8 3 1 6003.51 5213.65 274.55 o -8 4 1 1239.60 1021.97 195.10 o -7 4 1 7843.24 8236.30 161.79 o -6 4 1 1307.50 1404.23 40.91 o -5 4 1 4642.11 4767.15 97.87 o -4 4 1 1103.95 1041.81 25.91 o -3 4 1 3466.86 3286.42 51.82 o -2 4 1 43.62 514.71 208.80 o -1 4 1 13.90 27.21 19.40 o 0 4 1 91.77 171.61 44.80 o 1 4 1 2752.73 2614.48 45.00 o 2 4 1 779.60 868.39 30.45 o 3 4 1 6308.66 6139.55 132.53 o 4 4 1 84.91 122.63 23.26 o 5 4 1 11868.25 11635.39 196.86 o 6 4 1 190.39 190.72 31.25 o 7 4 1 7873.72 8439.94 179.81 o -7 5 1 2121.95 2369.38 61.98 o -6 5 1 5149.37 5144.80 109.45 o -5 5 1 1853.38 1795.43 32.45 o -4 5 1 5677.43 5633.83 140.25 o -3 5 1 1434.37 1442.27 32.82 o -2 5 1 2388.14 2310.36 59.04 o -1 5 1 118.79 85.26 22.65 o 0 5 1 50.66 91.26 22.57 o 1 5 1 5.23 732.22 274.18 o 2 5 1 2460.29 2352.88 33.17 o 3 5 1 905.59 854.36 34.52 o 4 5 1 5480.70 5395.46 80.29 o 5 5 1 1377.49 1389.42 38.22 o 6 5 1 3899.20 4040.29 64.34 o 7 5 1 183.13 169.56 51.20 o -6 6 1 1481.23 1551.15 49.76 o -5 6 1 4019.81 3846.44 74.36 o -4 6 1 272.29 274.20 32.48 o -3 6 1 1292.04 1363.08 66.71 o -2 6 1 152.64 170.67 28.46 o -1 6 1 12.22 28.90 20.25 o 0 6 1 131.48 1237.57 429.32 o 1 6 1 1768.10 1703.22 45.42 o 2 6 1 379.79 394.97 27.16 o 3 6 1 3780.04 3658.57 62.51 o 4 6 1 35.34 62.60 29.88 o 5 6 1 7001.51 7327.10 155.35 o 6 6 1 206.80 166.53 50.34 o -5 7 1 1160.67 1279.41 44.26 o -4 7 1 3336.95 3454.85 94.05 o -3 7 1 718.57 735.26 30.61 o -2 7 1 1167.52 1260.50 37.90 o -1 7 1 95.57 124.38 23.79 o 0 7 1 47.38 46.65 26.79 o 1 7 1 10.73 8.22 26.48 o 2 7 1 1439.03 1512.86 30.60 o 3 7 1 431.33 411.93 31.45 o 4 7 1 3011.05 2865.28 88.50 o 5 7 1 850.55 768.14 102.29 o -4 8 1 376.16 296.91 42.46 o -3 8 1 1068.44 1160.22 48.19 o -2 8 1 11.85 46.44 33.28 o -1 8 1 6.14 26.19 35.91 o 0 8 1 19.58 17.58 31.11 o 1 8 1 780.40 820.68 40.83 o 2 8 1 216.97 198.70 33.10 o 3 8 1 2024.32 2019.64 45.04 o 4 8 1 35.71 38.96 48.42 o -2 9 1 646.88 439.50 46.37 o -1 9 1 28.45 13.21 51.75 o 0 9 1 8.23 1.18 40.68 o 1 9 1 0.95 6.82 42.69 o 2 9 1 631.72 382.56 67.43 o -9 0 2 1129.69 1142.12 112.25 o -8 0 2 190.10 177.81 58.25 o -7 0 2 3269.48 3418.13 68.53 o -6 0 2 3685.34 3629.84 59.56 o -5 0 2 2106.11 1998.57 59.17 o -4 0 2 727.52 752.72 46.40 o -3 0 2 12008.18 11922.89 245.41 o -2 0 2 45420.22 51491.16 1060.56 o -1 0 2 10849.96 11214.25 230.93 o 0 0 2 11243.13 11390.95 572.52 o 1 0 2 41536.62 45796.09 226.44 o 2 0 2 12868.26 13127.93 111.20 o 3 0 2 634.08 691.63 54.86 o 4 0 2 1119.95 1096.70 48.21 o 5 0 2 3201.91 3158.91 62.38 o 6 0 2 1920.47 1991.39 100.18 o 7 0 2 5.03 35.29 64.71 o 8 0 2 1036.25 857.32 121.00 o -9 1 2 214.33 178.78 78.08 o -8 1 2 435.99 490.00 51.38 o -7 1 2 32.35 46.12 31.63 o -6 1 2 1479.17 1402.12 41.62 o -5 1 2 8165.63 7680.06 135.50 o -4 1 2 17790.70 16501.82 389.02 o -3 1 2 15393.36 15505.93 509.33 o -2 1 2 34720.09 42237.39 4038.91 o -1 1 2 15654.54 17253.29 314.12 o 0 1 2 13491.17 14740.31 198.56 o 1 1 2 33750.89 35426.60 279.33 o 2 1 2 11482.69 11629.24 77.60 o 3 1 2 15195.02 14420.76 363.01 o 4 1 2 4573.00 4584.04 59.28 o 5 1 2 1516.42 1499.83 38.99 o 6 1 2 7.09 36.90 33.58 o 7 1 2 120.42 141.98 37.33 o 8 1 2 232.65 138.20 49.35 o -8 2 2 2018.79 2096.95 58.74 o -7 2 2 269.82 271.33 43.21 o -6 2 2 175.18 199.18 39.79 o -5 2 2 8944.36 8453.76 236.78 o -4 2 2 7158.34 6732.36 249.26 o -3 2 2 1088.22 1122.80 57.50 o -2 2 2 12298.56 12737.98 665.68 o -1 2 2 33143.32 34139.79 591.59 o 0 2 2 33927.46 34283.55 722.26 o 1 2 2 10284.27 10467.20 161.10 o 2 2 2 1197.23 1714.79 320.15 o 3 2 2 7213.36 6866.29 120.15 o 4 2 2 7233.29 7008.52 155.45 o 5 2 2 49.84 47.47 30.57 o 6 2 2 5.43 31.92 44.45 o 7 2 2 1025.83 1019.60 39.46 o -8 3 2 339.72 405.59 59.80 o -7 3 2 23.29 38.10 40.50 o -6 3 2 1263.90 1167.93 117.31 o -5 3 2 6546.64 6473.23 156.61 o -4 3 2 13433.60 13182.58 264.73 o -3 3 2 11150.94 11050.30 205.98 o -2 3 2 23732.29 23205.07 415.41 o -1 3 2 11485.52 11488.36 152.87 o 0 3 2 9942.49 9955.31 454.46 o 1 3 2 23156.58 21361.15 342.53 o 2 3 2 8309.42 7840.60 107.48 o 3 3 2 11466.65 11712.00 177.14 o 4 3 2 3688.30 3521.33 36.98 o 5 3 2 1291.18 1311.34 32.47 o 6 3 2 4.06 13.52 34.52 o 7 3 2 87.02 105.54 43.51 o -8 4 2 116.26 88.85 73.58 o -7 4 2 2271.12 2424.19 55.39 o -6 4 2 2562.67 2788.68 77.79 o -5 4 2 1247.05 1219.79 32.27 o -4 4 2 426.33 421.28 25.16 o -3 4 2 6851.13 6907.56 136.06 o -2 4 2 21702.24 20753.82 364.78 o -1 4 2 5805.67 5650.63 105.71 o 0 4 2 6001.55 5855.11 71.17 o 1 4 2 19840.81 18133.81 254.61 o 2 4 2 7265.00 7157.94 110.12 o 3 4 2 366.12 386.57 27.76 o 4 4 2 647.21 663.17 32.20 o 5 4 2 2234.93 2303.04 64.01 o 6 4 2 1350.75 1499.31 41.55 o 7 4 2 6.00 30.67 54.68 o -7 5 2 30.99 5.96 71.10 o -6 5 2 827.32 859.45 69.82 o -5 5 2 4175.64 4097.02 56.68 o -4 5 2 8711.82 8441.02 131.15 o -3 5 2 6919.05 6847.35 149.06 o -2 5 2 13679.80 13180.82 228.36 o -1 5 2 6742.82 6739.92 128.65 o 0 5 2 5826.87 5844.14 136.55 o 1 5 2 13368.19 12658.37 196.92 o 2 5 2 5174.36 4987.39 40.89 o 3 5 2 7458.96 7628.79 159.59 o 4 5 2 2326.37 2309.26 33.71 o 5 5 2 829.65 909.83 37.72 o 6 5 2 9.04 21.35 47.93 o -7 6 2 105.28 113.04 58.59 o -6 6 2 74.59 74.52 42.95 o -5 6 2 4108.65 4293.57 107.45 o -4 6 2 3207.91 3480.46 108.75 o -3 6 2 392.52 484.26 24.31 o -2 6 2 3977.57 3931.34 72.52 o -1 6 2 10815.91 10824.41 223.69 o 0 6 2 11039.25 11226.48 173.83 o 1 6 2 3327.06 3389.49 72.55 o 2 6 2 419.67 455.68 25.05 o 3 6 2 3222.92 3323.11 45.23 o 4 6 2 3355.65 3488.50 104.02 o 5 6 2 18.80 44.02 42.55 o 6 6 2 2.93 10.73 69.53 o -6 7 2 584.07 409.97 50.19 o -5 7 2 2490.94 2224.40 215.11 o -4 7 2 4726.08 5130.42 125.23 o -3 7 2 3720.59 3837.34 78.91 o -2 7 2 7398.14 7573.42 104.86 o -1 7 2 3668.06 3686.50 68.04 o 0 7 2 3175.33 3141.42 56.86 o 1 7 2 7247.87 7206.25 138.40 o 2 7 2 2772.24 2839.58 64.54 o 3 7 2 4032.88 4343.40 86.37 o 4 7 2 1422.90 1264.60 161.59 o 5 7 2 574.35 307.49 108.78 o -4 8 2 137.62 173.94 46.88 o -3 8 2 2338.31 2393.81 141.68 o -2 8 2 6437.54 6518.40 238.57 o -1 8 2 1454.90 1503.72 51.06 o 0 8 2 1498.37 1595.11 35.16 o 1 8 2 5911.84 6322.97 139.15 o 2 8 2 2452.55 2496.69 86.04 o 3 8 2 110.01 75.73 39.82 o -2 9 2 3547.86 2353.70 218.04 o -1 9 2 1867.84 1863.88 117.01 o 0 9 2 1616.36 1670.94 119.01 o 1 9 2 3479.38 3621.30 84.31 o -8 0 3 7947.62 7521.20 296.56 o -7 0 3 139.63 131.60 58.89 o -6 0 3 14578.70 13871.10 159.73 o -5 0 3 2126.20 2017.04 65.54 o -4 0 3 8767.01 8101.51 195.37 o -3 0 3 26.21 -24.10 55.84 o -2 0 3 4063.85 4393.96 247.07 o -1 0 3 36.15 -19.00 73.73 o 0 0 3 4148.89 4556.12 230.49 o 1 0 3 21.22 -67.80 67.80 o 2 0 3 3484.21 3717.73 136.96 o 3 0 3 1197.63 1148.39 50.69 o 4 0 3 7580.01 7562.01 415.84 o 5 0 3 4692.76 4831.66 116.92 o 6 0 3 10499.64 10821.46 385.47 o 7 0 3 980.85 986.17 98.49 o -9 1 3 6084.05 5915.58 588.30 o -8 1 3 826.34 883.52 78.69 o -7 1 3 7864.38 7763.96 181.11 o -6 1 3 1202.25 1175.98 39.62 o -5 1 3 6380.80 6137.72 213.80 o -4 1 3 757.42 885.33 100.75 o -3 1 3 1033.94 1113.79 58.21 o -2 1 3 631.96 613.20 91.57 o -1 1 3 9.41 2396.22 1073.31 o 0 1 3 1420.95 1850.36 92.44 o 1 1 3 4990.89 5297.58 102.95 o 2 1 3 6411.61 6190.81 118.74 o 3 1 3 15277.97 15326.98 144.72 o 4 1 3 2436.44 2394.03 65.71 o 5 1 3 7077.83 7020.13 74.07 o 6 1 3 3152.62 3169.39 58.45 o 7 1 3 2977.38 3188.39 96.21 o -9 2 3 62.85 44.89 89.37 o -8 2 3 10718.75 11450.23 287.14 o -7 2 3 980.23 1049.13 54.32 o -6 2 3 8611.99 8140.03 254.12 o -5 2 3 412.50 399.59 34.17 o -4 2 3 12439.38 11996.01 317.23 o -3 2 3 887.23 1782.94 613.18 o -2 2 3 1068.56 1175.41 93.18 o -1 2 3 334.30 337.47 64.65 o 0 2 3 1317.19 2726.45 795.55 o 1 2 3 163.71 74.69 50.65 o 2 2 3 4634.42 4471.98 92.37 o 3 2 3 1778.65 1782.04 80.99 o 4 2 3 5668.81 5594.58 81.39 o 5 2 3 3639.37 3647.07 44.38 o 6 2 3 10124.96 10771.48 147.16 o 7 2 3 992.67 855.99 66.57 o -8 3 3 686.69 792.95 85.94 o -7 3 3 6571.45 6861.84 125.21 o -6 3 3 1001.10 1043.35 41.67 o -5 3 3 4990.80 4814.70 200.10 o -4 3 3 552.20 544.69 36.08 o -3 3 3 811.17 816.53 25.10 o -2 3 3 444.58 815.29 220.17 o -1 3 3 20.64 495.92 206.36 o 0 3 3 1043.89 33535.86 14061.67 o 1 3 3 3566.90 3540.61 34.19 o 2 3 3 4699.81 4761.19 79.92 o 3 3 3 12075.28 12075.79 239.50 o 4 3 3 2044.18 1981.61 64.10 o 5 3 3 5743.93 5778.89 113.13 o 6 3 3 2588.62 2769.26 56.63 o 7 3 3 2586.18 2131.92 220.24 o -8 4 3 5610.35 5987.51 271.46 o -7 4 3 92.19 97.81 62.92 o -6 4 3 9846.65 9691.80 335.65 o -5 4 3 1379.15 1430.67 36.30 o -4 4 3 5272.33 5165.44 74.76 o -3 4 3 16.07 17.66 23.32 o -2 4 3 2170.68 2164.46 53.08 o -1 4 3 23.19 78.38 27.74 o 0 4 3 1954.55 2053.92 85.67 o 1 4 3 20.79 -26.31 27.18 o 2 4 3 2036.58 1989.55 32.34 o 3 4 3 726.11 735.90 26.57 o 4 4 3 5014.55 5206.37 158.01 o 5 4 3 3170.06 3198.57 83.43 o 6 4 3 7263.89 6882.50 741.71 o -7 5 3 4579.93 4796.73 228.13 o -6 5 3 654.68 639.31 42.56 o -5 5 3 3420.82 3696.27 115.23 o -4 5 3 388.93 392.87 28.30 o -3 5 3 446.42 437.43 22.56 o -2 5 3 208.49 228.31 21.69 o -1 5 3 7.24 11.42 21.96 o 0 5 3 556.54 3063.38 1000.45 o 1 5 3 2324.97 2223.02 48.67 o 2 5 3 3122.97 3121.28 46.47 o 3 5 3 7614.85 7713.30 102.29 o 4 5 3 1324.04 1399.93 53.16 o 5 5 3 4145.72 4467.22 88.78 o 6 5 3 1924.34 1981.34 100.40 o -7 6 3 502.25 269.05 60.06 o -6 6 3 4037.53 3993.94 203.25 o -5 6 3 162.63 155.25 35.82 o -4 6 3 5308.41 5497.62 117.15 o -3 6 3 368.66 403.07 30.61 o -2 6 3 395.42 398.41 28.55 o -1 6 3 112.94 124.48 23.09 o 0 6 3 399.69 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