#------------------------------------------------------------------------------ #$Date: 2020-02-15 08:07:40 +0200 (Sat, 15 Feb 2020) $ #$Revision: 248205 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/32/2243276.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_2243276 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 9.2992(8) _cell_length_b 9.2992(8) _cell_length_c 7.2588(7) _exptl_crystal_F_000 660 _reflns_d_resolution_high 0.6488 _cod_data_source_file ru2069Tb-boratesup2.hkl _cod_data_source_block Tb-borate _shelx_title ' ' _shelx_refln_list_code 4 _shelx_f_calc_maximum 303.01 _shelx_f_squared_multiplier 1.000 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'y, x, -z' 'x-y, -y, -z' '-x, -x+y, -z' 'x+2/3, y+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+y+2/3, -x+1/3, z+1/3' 'y+2/3, x+1/3, -z+1/3' 'x-y+2/3, -y+1/3, -z+1/3' '-x+2/3, -x+y+1/3, -z+1/3' 'x+1/3, y+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' '-x+y+1/3, -x+2/3, z+2/3' 'y+1/3, x+2/3, -z+2/3' 'x-y+1/3, -y+2/3, -z+2/3' '-x+1/3, -x+y+2/3, -z+2/3' 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 2 0 15910.10 14569.40 232.54 o 0 3 0 23232.80 21950.10 343.76 o -2 4 0 29603.00 28683.80 475.20 o -1 5 0 22291.00 21434.50 303.32 o -3 6 0 15701.40 15883.80 394.31 o 0 6 0 21227.30 21333.40 485.31 o -2 7 0 30055.40 30190.30 434.76 o -4 8 0 7503.88 7138.09 333.65 o -1 8 0 5278.12 4842.98 192.10 o -3 9 0 7819.07 7906.50 262.88 o 0 9 0 18761.50 18320.40 657.19 o -5 10 0 9216.74 8139.04 414.54 o -2 10 0 5105.84 5065.41 283.10 o -4 11 0 9430.28 9544.41 333.65 o -1 11 0 2955.32 3285.95 272.99 o -6 12 0 1894.65 2012.01 384.20 o -3 12 0 3972.98 4398.11 333.65 o 0 12 0 3713.05 3478.05 333.65 o -5 13 0 2647.78 3073.62 222.43 o -2 13 0 5146.74 5105.86 333.65 o -7 14 0 9573.64 10373.50 485.31 o -1 1 1 18760.00 17916.00 303.32 o 0 2 1 34541.90 35528.70 556.08 o -2 3 1 18698.50 17936.20 222.43 o -4 4 1 31166.40 31171.00 515.64 o -1 4 1 28270.40 28643.40 333.65 o -3 5 1 19793.40 19897.70 293.21 o 0 5 1 13984.70 13801.00 353.87 o -5 6 1 16535.50 16439.80 283.10 o -2 6 1 15934.10 15711.90 262.88 o -7 7 1 3517.82 4013.91 252.76 o -4 7 1 16352.90 16874.60 313.43 o -1 7 1 9738.29 9524.19 242.65 o -6 8 1 8557.19 8685.01 252.76 o -3 8 1 7274.54 7148.20 232.54 o 0 8 1 6148.74 6157.36 353.87 o -8 9 1 4496.74 4479.00 222.43 o -5 9 1 15235.00 16591.50 394.31 o -2 9 1 11175.40 11141.90 303.32 o -10 10 1 3476.48 3579.16 545.97 o -7 10 1 5136.45 5277.74 272.99 o -4 10 1 5781.45 5530.50 252.76 o -1 10 1 4105.19 4307.12 242.65 o -9 11 1 12097.30 11334.00 454.98 o -6 11 1 5363.21 6015.81 323.54 o -3 11 1 5128.67 5014.86 262.88 o 0 11 1 6946.34 7289.75 414.54 o -11 12 1 2326.20 2375.99 222.43 o -8 12 1 3046.82 3053.40 232.54 o -5 12 1 3926.15 3771.26 272.99 o -2 12 1 2372.60 2386.10 202.21 o -10 13 1 2775.41 2820.86 212.32 o -7 13 1 2075.93 2092.90 171.88 o -4 13 1 4639.61 4873.31 283.10 o -9 14 1 2594.95 2527.65 202.21 o -6 14 1 3420.94 3528.60 272.99 o 0 1 2 17591.20 17167.80 232.54 o -2 2 2 87862.10 91814.40 1243.60 o -1 3 2 27326.40 27147.00 303.32 o -3 4 2 20509.40 21080.60 293.21 o 0 4 2 23328.10 23962.10 475.20 o -5 5 2 29449.50 29967.80 576.30 o -2 5 2 22804.60 23537.50 333.65 o -4 6 2 17601.70 17734.00 283.10 o -1 6 2 5695.16 5672.05 161.77 o -6 7 2 10033.20 9857.84 262.88 o -3 7 2 14774.10 14953.60 283.10 o 0 7 2 49596.80 48399.50 960.51 o -8 8 2 6347.42 6248.36 323.54 o -5 8 2 9516.95 9544.41 272.99 o -2 8 2 7329.92 7117.87 242.65 o -7 9 2 19929.80 20403.20 444.87 o -4 9 2 9817.09 9787.07 323.54 o -1 9 2 5048.17 5075.53 232.54 o -9 10 2 3189.82 3407.27 222.43 o -6 10 2 4220.70 4155.46 222.43 o -3 10 2 4637.21 4610.44 232.54 o 0 10 2 3207.66 3346.61 313.43 o -11 11 2 7862.40 8179.48 374.09 o -8 11 2 3055.77 2921.97 272.99 o -5 11 2 6506.07 6642.67 343.76 o -2 11 2 7191.71 6986.43 272.99 o -10 12 2 3694.31 4115.02 252.76 o -7 12 2 6896.28 6885.32 333.65 o -4 12 2 3662.04 3771.26 222.43 o -1 12 2 2915.57 3114.07 212.32 o -9 13 2 4953.32 5055.30 272.99 o -6 13 2 6394.96 6369.68 262.88 o -3 13 2 1887.67 1739.02 202.21 o -8 14 2 1276.02 1405.37 202.21 o 0 0 3 550.18 353.87 80.88 o -1 2 3 18709.30 18532.70 202.21 o -3 3 3 22945.80 23133.10 465.09 o 0 3 3 16656.30 16712.80 293.21 o -2 4 3 36396.50 37500.20 414.54 o -4 5 3 11273.50 11232.90 262.88 o -1 5 3 9749.70 9665.74 192.10 o -6 6 3 6538.55 6642.67 333.65 o -3 6 3 12155.70 12324.80 232.54 o 0 6 3 5416.94 5126.08 242.65 o -5 7 3 9774.45 10181.40 262.88 o -2 7 3 12772.00 12941.60 293.21 o -7 8 3 7562.48 7259.42 272.99 o -4 8 3 10856.20 10889.10 313.43 o -1 8 3 5849.02 5803.49 212.32 o -9 9 3 9448.37 9170.32 485.31 o -6 9 3 6439.51 6501.12 283.10 o -3 9 3 8050.62 8371.58 283.10 o 0 9 3 8832.74 8624.35 333.65 o -8 10 3 3559.20 3164.62 262.88 o -5 10 3 3793.67 3872.36 222.43 o -2 10 3 3419.60 3376.94 232.54 o -10 11 3 2662.66 2851.19 374.09 o -7 11 3 7671.86 7876.16 363.98 o -4 11 3 6525.09 6339.35 303.32 o -1 11 3 3256.47 3427.50 192.10 o -9 12 3 3295.30 3376.94 222.43 o -6 12 3 4638.70 4660.99 252.76 o -3 12 3 3600.02 3558.93 212.32 o -8 13 3 3281.66 3397.16 242.65 o -5 13 3 2451.84 2497.32 222.43 o -1 1 4 18861.70 18593.40 323.54 o 0 2 4 45308.10 47732.20 626.86 o -2 3 4 13232.00 13426.90 202.21 o -4 4 4 22523.80 22698.30 485.31 o -1 4 4 10272.00 9969.06 171.88 o -3 5 4 15547.20 15762.40 262.88 o 0 5 4 29238.50 30240.80 566.19 o -5 6 4 5561.67 5388.95 192.10 o -2 6 4 13965.60 14195.30 262.88 o -7 7 4 36192.20 36438.60 940.29 o -4 7 4 8329.23 8149.15 222.43 o -1 7 4 6681.79 6602.23 212.32 o -6 8 4 4979.21 5045.19 212.32 o -3 8 4 7119.06 6875.21 222.43 o 0 8 4 3011.59 3356.72 313.43 o -8 9 4 3949.39 3387.05 283.10 o -5 9 4 8118.01 8199.70 283.10 o -2 9 4 15888.30 16247.70 404.42 o -10 10 4 2646.41 2881.52 283.10 o -7 10 4 4342.06 3740.92 262.88 o -4 10 4 4325.46 3902.69 252.76 o -1 10 4 3526.08 3710.59 212.32 o -9 11 4 5966.74 5318.18 333.65 o -6 11 4 5733.57 5672.05 313.43 o -3 11 4 2913.79 2790.53 181.99 o 0 11 4 5953.68 5146.30 353.87 o -11 12 4 2168.02 2153.56 202.21 o -8 12 4 2909.56 3023.07 181.99 o -5 12 4 4226.34 4236.34 232.54 o -2 12 4 3285.52 3447.72 222.43 o -7 13 4 5061.24 5227.18 293.21 o -4 13 4 3499.39 3882.47 252.76 o 0 1 5 12064.60 12142.80 252.76 o -2 2 5 14609.50 14852.50 303.32 o -1 3 5 9760.38 9736.52 171.88 o -3 4 5 10247.60 10292.60 222.43 o 0 4 5 18804.10 19291.00 424.65 o -5 5 5 11680.00 12365.30 394.31 o -2 5 5 10049.90 10302.70 212.32 o -4 6 5 9696.24 9989.28 262.88 o -1 6 5 8857.96 8604.13 232.54 o -6 7 5 4695.68 4954.20 242.65 o -3 7 5 6885.36 6713.44 202.21 o 0 7 5 3041.69 2921.97 222.43 o -8 8 5 2100.14 1698.58 333.65 o -5 8 5 4347.18 4337.45 202.21 o -2 8 5 4277.26 4398.11 232.54 o -7 9 5 6922.28 6531.45 283.10 o -4 9 5 8797.63 8897.33 283.10 o -1 9 5 3218.81 3154.51 313.43 o -9 10 5 3144.29 2921.97 313.43 o -6 10 5 4583.14 4418.34 262.88 o -3 10 5 3711.47 4145.35 272.99 o 0 10 5 2041.53 2022.12 242.65 o -11 11 5 4207.97 3629.71 293.21 o -8 11 5 3578.05 3397.16 192.10 o -5 11 5 3958.37 4236.34 283.10 o -2 11 5 7292.24 7178.53 293.21 o -7 12 5 1580.47 1698.58 181.99 o -4 12 5 2155.08 2062.56 161.77 o 0 0 6 61044.00 59824.50 1385.15 o -1 2 6 6093.95 6167.47 151.66 o -3 3 6 7134.82 7148.20 232.54 o 0 3 6 11032.30 11546.30 303.32 o -2 4 6 13044.70 13993.10 232.54 o -4 5 6 7410.27 7411.08 192.10 o -1 5 6 7444.19 7218.97 212.32 o -6 6 6 7794.05 8391.80 394.31 o -3 6 6 4949.63 4782.32 171.88 o 0 6 6 9123.54 9079.33 384.20 o -5 7 6 15759.80 15570.30 333.65 o -2 7 6 11405.10 11728.30 293.21 o -7 8 6 2035.19 1809.80 181.99 o -4 8 6 3605.38 3447.72 192.10 o -1 8 6 4019.33 3609.49 262.88 o -9 9 6 9266.86 9524.19 363.98 o -6 9 6 4943.19 4782.32 272.99 o -3 9 6 3006.14 2830.97 202.21 o 0 9 6 10145.40 9534.30 384.20 o -8 10 6 2837.63 3093.85 171.88 o -5 10 6 4257.72 4751.99 293.21 o -2 10 6 2118.24 2032.23 161.77 o -7 11 6 4249.75 4499.22 222.43 o -4 11 6 5737.08 5742.83 262.88 o -6 12 6 1187.69 1122.28 151.66 o -1 1 7 2977.58 3023.07 181.99 o 0 2 7 11537.90 11556.40 353.87 o -2 3 7 6057.60 5934.93 171.88 o -4 4 7 6967.72 7188.64 252.76 o -1 4 7 6785.95 7006.65 192.10 o -3 5 7 6342.85 6258.47 192.10 o 0 5 7 2960.38 2911.85 262.88 o -5 6 7 4186.64 3892.58 192.10 o -2 6 7 5492.69 5206.96 202.21 o -7 7 7 2140.94 2436.66 303.32 o -4 7 7 6559.22 6622.45 222.43 o -1 7 7 3708.87 3174.73 222.43 o -6 8 7 3533.50 3225.28 171.88 o -3 8 7 3403.64 3073.62 212.32 o 0 8 7 3071.38 2608.54 222.43 o -8 9 7 1953.52 2022.12 141.55 o -5 9 7 5161.23 4853.09 293.21 o -2 9 7 4230.13 4044.24 212.32 o -7 10 7 1738.61 1749.14 151.66 o -4 10 7 1998.05 1870.46 161.77 o -1 10 7 1624.21 1162.72 151.66 o -6 11 7 2135.69 2355.77 192.10 o 0 1 8 3143.21 3265.73 252.76 o -2 2 8 17706.70 18795.60 414.54 o -1 3 8 5178.66 5409.18 222.43 o -3 4 8 3718.86 3589.27 161.77 o 0 4 8 5537.10 5843.93 333.65 o -5 5 8 6716.54 6420.24 313.43 o -2 5 8 5892.40 6056.25 212.32 o -4 6 8 4497.16 4751.99 202.21 o -1 6 8 2022.89 2062.56 171.88 o -6 7 8 3446.85 3569.04 181.99 o -3 7 8 5377.72 5156.41 202.21 o 0 7 8 12587.30 12638.30 434.76 o -8 8 8 3426.98 3528.60 272.99 o -5 8 8 2215.39 2042.34 131.44 o -2 8 8 2768.07 2669.20 192.10 o -7 9 8 6534.45 6076.48 272.99 o -4 9 8 3560.95 3144.40 202.21 o -1 9 8 1584.63 1233.49 151.66 o 0 0 9 2783.91 2477.10 485.31 o -1 2 9 2908.59 3053.40 171.88 o -3 3 9 4250.24 4974.42 313.43 o 0 3 9 2424.76 2679.31 212.32 o -2 4 9 5580.50 5752.94 202.21 o -4 5 9 3173.64 3063.51 161.77 o -1 5 9 2683.83 2396.21 181.99 o -6 6 9 2058.02 2072.67 222.43 o -3 6 9 2716.41 2618.65 171.88 o 0 6 9 1408.86 1546.92 222.43 o -5 7 9 1824.96 1971.57 151.66 o -2 7 9 3318.18 3235.39 212.32 o -4 8 9 2499.33 2669.20 171.88 o -1 1 10 3557.76 3892.58 303.32 o 0 2 10 7102.38 6784.22 323.54 o -2 3 10 1783.93 1860.35 151.66 o -4 4 10 4867.60 4074.57 293.21 o -1 4 10 1276.01 1041.39 121.33 o -3 5 10 2893.31 3093.85 202.21 o 0 5 10 6844.33 6460.68 424.65 o -5 6 10 1616.26 2295.11 798.74 o -2 6 10 2727.74 2820.86 202.21 o 0 1 11 1677.14 1799.69 242.65 o -2 2 11 1822.40 1870.46 293.21 o