#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/08/2200813.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_2200813_Fobs loop_ _publ_author_name 'Dabkowska, Hanna A.' 'Gaulin, Bruce D.' 'Dabkowski, Antoni' 'Luke, Graeme M.' 'Britten, James F.' _publ_section_title ; Ytterbium cobalt gallium oxide, YbCoGaO~4~, as grown by the floating zone technique ; _journal_issue 1 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i1 _journal_page_last i2 _journal_volume 58 _journal_year 2002 _space_group_IT_number 166 _symmetry_space_group_name_Hall '-R 3 2"' _symmetry_space_group_name_H-M 'R -3 m :H' _cell_angle_alpha 90.000 _cell_angle_beta 90.000 _cell_angle_gamma 120.000 _cell_length_a 3.4165 _cell_length_b 3.4165 _cell_length_c 25.1222 _exptl_crystal_F_000 480.00 _reflns_d_resolution_high 0.6024 _[local]_cod_data_source_file br6029Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' b143 in R-3m' _shelx_refln_list_code 4 _shelx_f_calc_maximum 322.94 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries 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' '-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 104292.95 99672.32 860.42 o 0 3 0 48141.89 48564.62 631.05 o -2 4 0 37242.30 37240.46 552.22 o -1 5 0 21251.71 22219.20 352.45 o -1 1 1 53049.02 46349.96 599.23 o 0 2 1 32453.26 30127.28 385.90 o -2 3 1 23292.10 22467.50 217.75 o -4 4 1 12365.89 12562.84 392.22 o -1 4 1 14756.43 14792.20 159.71 o -3 5 1 10572.93 10167.29 210.38 o -2 2 2 1015.17 1216.92 29.83 o -1 3 2 1285.97 1374.77 25.15 o -3 4 2 1440.98 1395.20 30.19 o 0 4 2 1413.74 1474.42 71.55 o -2 5 2 1353.55 1247.23 42.03 o 0 0 3 9076.57 8587.10 3701.60 o -1 2 3 6836.78 6651.57 59.05 o -3 3 3 4872.62 4708.44 78.44 o 0 3 3 4872.62 4717.35 77.20 o -2 4 3 4334.98 4184.05 55.88 o -4 5 3 3172.93 3196.75 82.36 o -1 5 3 3172.93 3171.58 75.13 o -1 1 4 62862.45 62906.73 544.34 o 0 2 4 41524.72 40187.22 547.69 o -2 3 4 30565.10 29791.24 281.38 o -4 4 4 16373.06 16671.12 469.26 o -1 4 4 19533.62 19540.78 226.06 o -3 5 4 14009.43 13432.28 254.86 o 0 1 5 61153.68 60455.18 1281.41 o -2 2 5 43223.45 40516.02 587.41 o -1 3 5 32542.86 32346.78 372.41 o -3 4 5 20943.07 21344.75 253.47 o 0 4 5 17525.15 17706.72 414.52 o -2 5 5 14965.20 14643.05 225.51 o 0 0 6 24609.99 23572.96 2075.62 o -1 2 6 15600.36 14957.29 127.83 o -3 3 6 9367.66 9043.80 152.98 o 0 3 6 9367.66 9054.67 147.64 o -2 4 6 7861.47 7612.81 103.17 o -4 5 6 5180.25 5254.95 106.69 o -1 5 6 5180.25 5215.27 99.07 o -1 1 7 7630.69 8413.84 157.65 o 0 2 7 4413.56 4552.93 83.77 o -2 3 7 3389.00 3454.68 48.12 o -4 4 7 2352.01 2462.28 96.45 o -1 4 7 2604.15 2630.38 55.12 o -3 5 7 2128.67 2049.95 65.54 o 0 1 8 22152.56 23849.33 675.03 o -2 2 8 14696.22 14233.60 223.57 o -1 3 8 11138.97 11166.21 145.00 o -3 4 8 7574.63 7741.98 123.16 o 0 4 8 6491.06 6794.53 178.59 o -2 5 8 5643.46 5106.26 116.20 o 0 0 9 85922.01 94905.24 3703.10 o -1 2 9 53707.02 56906.25 564.17 o -3 3 9 29304.63 29987.19 497.04 o 0 3 9 29304.63 30703.70 508.06 o -2 4 9 23459.73 23715.20 349.79 o -4 5 9 14090.13 14412.27 263.59 o -1 5 9 14090.13 14139.19 231.54 o -1 1 10 59339.40 59683.74 909.69 o 0 2 10 38817.97 39995.34 749.08 o -2 3 10 28507.34 28782.48 384.84 o -4 4 10 15300.94 14972.33 447.44 o -1 4 10 18240.20 18625.53 263.75 o -3 5 10 13099.42 12837.52 248.05 o 0 1 11 2824.26 2818.67 70.74 o -2 2 11 2765.27 2636.85 61.38 o -1 3 11 2634.08 2625.44 52.80 o -3 4 11 2309.22 2184.98 73.03 o 0 4 11 2135.78 2346.23 99.20 o -2 5 11 1968.17 1866.77 87.62 o 0 0 12 533.81 986.89 688.82 o -1 2 12 64.83 189.52 15.92 o -3 3 12 325.25 286.92 27.08 o 0 3 12 325.25 415.28 33.70 o -2 4 12 420.32 421.33 34.50 o -4 5 12 501.53 512.95 44.01 o -1 5 12 501.53 492.38 52.54 o -1 1 13 25765.86 24816.91 445.85 o 0 2 13 18618.21 19033.83 352.29 o -2 3 13 14514.89 14204.43 202.56 o -4 4 13 8503.12 8260.23 282.66 o -1 4 13 9930.41 10386.45 245.55 o -3 5 13 7397.10 7271.01 185.92 o 0 1 14 71274.04 79449.13 1404.00 o -2 2 14 47815.25 47283.74 881.74 o -1 3 14 35385.37 37767.20 543.71 o -3 4 14 22609.22 22129.26 431.15 o 0 4 14 18921.58 20238.30 506.33 o -2 5 14 16164.80 16105.91 447.26 o 0 0 15 24551.99 25604.87 596.82 o -1 2 15 17106.05 16733.43 180.81 o -3 3 15 10537.31 9657.83 190.39 o 0 3 15 10537.31 11110.99 252.47 o -2 4 15 8761.43 8448.24 254.62 o -4 5 15 5632.41 5524.97 373.09 o -1 5 15 5632.41 5424.64 355.89 o -1 1 16 735.45 758.56 37.93 o 0 2 16 752.31 863.97 48.74 o -2 3 16 775.43 772.34 32.18 o -4 4 16 720.28 624.99 63.59 o -1 4 16 756.48 902.23 47.86 o -3 5 16 676.34 522.32 63.43 o 0 1 17 5487.45 5402.20 142.97 o -2 2 17 4182.02 4160.07 96.97 o -1 3 17 3484.26 3690.56 80.87 o -3 4 17 2653.55 2483.48 85.59 o 0 4 17 2356.47 2572.96 107.52 o -2 5 17 2106.05 2395.54 166.40 o 0 0 18 29837.70 34306.69 772.48 o -1 2 18 21896.62 21995.91 272.76 o -3 3 18 13859.50 13820.30 332.40 o 0 3 18 13859.50 16150.14 358.56 o -2 4 18 11565.89 11593.92 290.04 o -1 1 19 23650.91 21359.44 581.25 o 0 2 19 18495.78 19176.28 386.15 o -2 3 19 14930.50 14106.54 207.63 o -4 4 19 9037.37 9681.86 435.20 o -1 4 19 10477.07 11850.78 286.48 o 0 1 20 4296.03 4241.06 163.03 o -2 2 20 3665.42 3556.68 95.45 o -1 3 20 3197.12 3457.69 109.35 o -3 4 20 2513.18 2366.68 85.65 o 0 4 20 2253.41 2546.88 233.50 o 0 0 21 70.41 133.70 54.76 o -1 2 21 126.57 120.25 32.94 o -3 3 21 215.46 249.75 42.92 o 0 3 21 215.46 345.79 59.65 o -2 4 21 236.29 255.97 53.12 o -1 1 22 4207.31 3623.79 108.98 o 0 2 22 3519.94 3638.90 130.20 o -2 3 22 3013.29 2886.35 81.68 o -4 4 22 2035.38 2063.25 122.03 o -1 4 22 2296.87 2454.81 135.57 o 0 1 23 26464.71 28207.23 703.92 o -2 2 23 20199.09 19280.54 382.84 o -1 3 23 16121.66 17118.71 332.87 o -3 4 23 11194.72 10799.44 380.87 o 0 4 23 9618.22 9059.58 381.55 o 0 0 24 22046.26 25134.42 1146.60 o -1 2 24 16603.97 15772.38 310.39 o -3 3 24 10842.80 10441.31 345.52 o 0 3 24 10842.82 11691.88 471.80 o -2 4 24 9136.19 9120.25 278.61 o -1 1 25 290.46 172.24 64.64 o 0 2 25 321.67 316.38 57.35 o -2 3 25 333.28 283.56 56.14 o -1 4 25 320.39 450.80 80.34 o 0 1 26 252.09 227.30 69.33 o -2 2 26 112.47 183.45 54.61 o -1 3 26 53.79 43.99 48.84 o -3 4 26 18.36 -9.04 71.30 o 0 0 27 6951.82 7675.66 557.47 o -1 2 27 5702.62 5571.88 134.28 o -3 3 27 4129.66 3628.28 233.68 o 0 3 27 4129.67 5104.64 536.98 o -2 4 27 3606.20 3547.06 163.50 o -1 1 28 15780.70 15427.41 579.90 o 0 2 28 12745.71 13941.73 1240.58 o -2 3 28 10595.80 9654.84 318.84 o -1 4 28 7801.93 11675.55 1513.85 o 0 1 29 2903.60 3172.71 143.66 o -2 2 29 2476.81 2478.08 209.56 o -1 3 29 2143.71 2359.95 157.08 o 0 0 30 39.97 -16.67 237.80 o -1 2 30 16.25 12.66 75.89 o -3 3 30 3.58 -9.79 89.18 o 0 3 30 3.58 -8.42 197.77 o -1 1 31 767.09 650.68 127.23 o 0 2 31 670.07 545.64 147.16 o -2 3 31 591.16 594.51 81.71 o 0 1 32 7112.04 6808.93 461.23 o -2 2 32 5900.30 5766.65 395.07 o -1 3 32 5003.99 5018.73 508.59 o 0 0 33 7316.52 6093.36 664.09 o -1 2 33 6090.04 6112.41 360.89 o -1 1 34 483.63 370.10 157.63 o 0 2 34 444.66 466.12 171.61 o -2 3 34 408.93 246.85 125.77 o 0 1 35 566.11 776.42 175.80 o -2 2 35 421.64 367.74 163.92 o -1 2 36 177.07 114.86 103.60 o -1 1 37 6394.07 6062.53 648.97 o 0 2 37 5452.75 6619.46 1736.31 o 0 1 38 4230.03 3462.54 505.16 o -1 1 40 384.50 1065.55 383.71 o