#------------------------------------------------------------------------------ #$Date: 2016-04-02 23:01:53 +0300 (Sat, 02 Apr 2016) $ #$Revision: 180906 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/47/2104768.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_2104768_Fobs loop_ _publ_author_name 'Friedrich, Alexandra' 'Juarez-Arellano, Erick A.' 'Hauss\"uhl, Eiken' 'Boehler, Reinhard' 'Winkler, Bj\"orn' 'Wiehl, Leonore' 'Morgenroth, Wolfgang' 'Burianek, Manfred' 'M\"uhlberg, Manfred' _publ_section_title ; Persistence of the stereochemical activity of the Bi^3+^ lone electron pair in Bi~2~Ga~4~O~9~ up to 50GPa and crystal structure of the high-pressure phase ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section B' _journal_page_first 323 _journal_page_last 337 _journal_volume 66 _journal_year 2010 _space_group_IT_number 55 _symmetry_space_group_name_Hall '-P 2 2ab' _symmetry_space_group_name_H-M 'P b a m' _cod_data_source_file sn50963.3GPasup3.hkl _cod_data_source_block 3.3GPa 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 1 0 1394.63 1358.45 30.31 o 2 1 0 9700.33 7817.80 353.94 o 0 2 0 9418.06 8492.24 349.21 o 1 2 0 15383.88 15123.95 336.72 o 2 2 0 39435.59 37659.11 717.48 o 3 2 0 1583.96 1409.82 99.05 o 1 3 0 66288.98 60349.25 919.02 o 2 3 0 3284.93 3546.19 164.88 o 3 3 0 47944.07 47792.89 1318.07 o 0 4 0 4803.69 4788.47 136.53 o 1 4 0 30087.13 30002.27 639.79 o 2 4 0 27601.73 28106.04 578.57 o 4 4 0 26595.59 25106.19 1475.02 o 2 5 0 6737.35 6908.45 109.12 o 3 5 0 43426.48 40829.20 876.02 o 4 5 0 11730.53 11526.61 216.17 o 0 6 0 114880.30 107536.38 307.80 o 2 6 0 1931.19 2028.63 54.74 o 4 6 0 3425.61 3453.07 305.44 o 2 7 0 5349.05 5986.37 275.78 o 3 7 0 38476.88 35958.22 1164.43 o 4 7 0 10686.99 10194.44 369.60 o 0 8 0 5192.34 5262.39 138.06 o 1 8 0 6343.23 6095.64 862.56 o 2 8 0 13245.77 13361.86 217.34 o 4 8 0 14966.85 15183.61 576.11 o 5 8 0 3321.64 3634.69 135.12 o 6 8 0 2383.47 2503.19 114.74 o 1 9 0 25758.83 25812.90 515.39 o 3 9 0 21386.45 22524.65 478.13 o 5 9 0 11219.71 11073.72 195.29 o 1 10 0 5010.54 5120.31 117.58 o 2 10 0 6822.40 6476.24 157.65 o 4 10 0 5614.47 6013.08 169.93 o 5 10 0 2824.58 2961.44 98.58 o 2 11 0 4317.30 4432.01 439.49 o 3 11 0 13003.33 13330.68 228.63 o 4 11 0 5134.67 5718.91 141.44 o 6 12 0 21570.25 23089.19 908.36 o 2 13 0 4107.16 4895.14 199.73 o 3 13 0 7904.80 7540.36 646.05 o 4 13 0 4240.53 4689.00 504.26 o 4 14 0 2669.40 3077.98 179.40 o 0 0 1 28899.09 33868.41 1022.96 o 2 0 1 19276.19 19384.91 713.76 o 1 1 1 884.53 812.36 21.16 o 2 1 1 81292.13 87263.15 1883.33 o 3 1 1 6309.52 5567.24 296.18 o 0 2 1 11070.17 11441.91 259.20 o 1 2 1 79684.70 74760.60 1409.53 o 2 2 1 1471.56 1232.48 34.63 o 3 2 1 938.61 935.92 107.03 o 1 3 1 6118.85 6447.58 657.26 o 3 3 1 24205.80 23289.20 1149.15 o 5 3 1 12986.69 12778.48 199.39 o 0 4 1 4639.20 4591.22 235.29 o 1 4 1 61915.37 62558.21 5825.89 o 2 4 1 1196.68 2749.47 121.99 o 5 4 1 41293.80 40455.60 818.03 o 1 5 1 846.68 787.80 71.54 o 2 5 1 45842.05 44215.89 904.10 o 3 5 1 5708.38 5744.97 70.24 o 4 5 1 29621.61 29254.36 633.95 o 5 5 1 3614.09 3374.03 71.84 o 0 6 1 14979.05 13319.20 540.82 o 2 6 1 7222.00 8042.61 269.99 o 4 6 1 1430.77 1550.50 68.65 o 6 6 1 11618.86 11297.46 172.01 o 2 7 1 36613.05 37246.29 586.96 o 3 7 1 2700.75 3095.84 108.58 o 4 7 1 23680.13 23797.06 776.28 o 0 8 1 6426.61 7138.94 346.90 o 1 8 1 25267.14 24696.71 704.22 o 5 8 1 19851.38 19816.69 383.32 o 6 8 1 4532.88 4402.17 154.17 o 7 8 1 11203.00 9835.19 256.17 o 1 9 1 1485.75 1497.59 67.05 o 3 9 1 8951.14 9476.22 186.35 o 5 9 1 5560.33 5961.60 86.36 o 0 10 1 1778.69 1682.08 107.70 o 1 10 1 17091.88 16738.08 248.59 o 5 10 1 13607.72 14877.35 322.57 o 7 10 1 8001.94 9484.45 173.57 o 2 11 1 15887.66 16106.38 318.17 o 3 11 1 2983.50 3250.34 79.93 o 4 11 1 10898.85 11430.45 380.27 o 2 12 1 2498.74 2876.36 77.57 o 6 12 1 5403.45 5320.00 220.14 o 2 13 1 8900.42 9372.60 186.43 o 4 13 1 7378.05 8018.24 258.57 o 5 14 1 6463.26 6929.72 128.50 o 0 0 2 80879.88 93096.90 2271.44 o 2 0 2 62949.50 63082.70 1627.87 o 4 0 2 61867.34 64902.44 171.20 o 1 1 2 35814.41 32297.78 568.53 o 2 1 2 28385.79 29279.08 817.41 o 3 1 2 2265.88 2278.54 46.74 o 4 1 2 20987.86 20563.35 343.24 o 5 1 2 17489.91 17115.58 316.41 o 0 2 2 44420.41 44086.41 1794.29 o 1 2 2 6677.38 6416.04 206.05 o 2 2 2 276.07 809.62 61.11 o 4 2 2 711.10 613.39 36.81 o 5 2 2 3030.35 2890.96 179.75 o 1 3 2 8544.22 8913.15 180.43 o 3 3 2 162798.13 154444.31 402.67 o 0 4 2 67962.78 68891.70 3782.99 o 1 4 2 13436.12 13846.79 181.81 o 2 4 2 68.01 113.93 30.76 o 3 4 2 1029.36 959.42 33.27 o 5 4 2 6495.36 6289.16 161.38 o 6 4 2 27591.16 25913.30 446.22 o 1 5 2 34013.11 33440.06 476.85 o 2 5 2 5071.75 5095.62 189.50 o 3 5 2 8194.31 8484.42 96.21 o 4 5 2 10327.63 11678.79 622.10 o 5 5 2 9514.46 9567.88 517.55 o 0 6 2 30293.36 30274.20 2057.37 o 2 6 2 30635.78 29775.33 879.14 o 4 6 2 29610.18 28176.32 1178.91 o 6 6 2 17330.64 18959.34 364.12 o 1 7 2 14792.80 14560.21 266.45 o 2 7 2 6997.69 7131.43 132.71 o 3 7 2 2111.37 2277.56 169.32 o 4 7 2 10373.28 10349.80 122.36 o 5 7 2 8336.05 8520.56 147.35 o 7 7 2 8342.97 9168.70 186.06 o 0 8 2 25702.21 25230.84 1660.94 o 1 8 2 8746.23 8426.03 198.41 o 5 8 2 5170.55 5168.62 113.46 o 6 8 2 16289.38 15820.97 281.21 o 7 8 2 6449.05 6173.15 191.82 o 1 9 2 2103.61 2062.81 81.61 o 3 9 2 48988.13 47725.43 1271.98 o 0 10 2 17970.94 16824.49 368.44 o 1 10 2 5425.48 5365.39 226.40 o 5 10 2 3222.88 3559.86 201.44 o 6 10 2 10527.95 10789.53 197.24 o 7 10 2 5961.93 5974.66 146.48 o 1 11 2 5898.93 6331.88 265.67 o 2 11 2 2004.35 2419.52 136.40 o 4 11 2 4224.77 4788.07 121.55 o 5 11 2 4667.52 4885.19 269.12 o 7 11 2 3726.78 3969.95 343.60 o 0 12 2 14780.08 15822.44 437.00 o 2 12 2 9953.88 9206.41 833.40 o 4 12 2 13589.00 13611.91 281.80 o 6 12 2 7961.29 8512.14 203.06 o 1 13 2 3337.70 3349.51 120.44 o 2 13 2 2404.33 2522.41 151.36 o 4 13 2 3616.33 4142.74 109.11 o 7 13 2 2437.14 3193.02 251.22 o 6 14 2 5375.52 4976.83 349.91 o 0 0 3 23044.78 24111.64 721.27 o 2 0 3 8961.87 9373.91 781.97 o 2 1 3 58993.34 54423.84 6052.63 o 3 1 3 6850.97 7112.54 164.47 o 4 1 3 38067.93 37335.18 1483.03 o 5 1 3 1238.48 1240.97 51.37 o 0 2 3 4185.87 4328.99 198.88 o 1 2 3 53075.34 55529.66 1938.53 o 5 2 3 35925.84 38644.60 1127.08 o 6 2 3 3114.63 3314.58 166.43 o 1 3 3 6661.85 7120.22 654.17 o 3 3 3 16410.80 16666.89 252.69 o 5 3 3 12318.41 12032.48 350.86 o 0 4 3 2336.11 2625.16 48.61 o 1 4 3 44236.88 43604.85 761.31 o 2 4 3 2053.20 1939.07 90.18 o 5 4 3 31754.85 31581.80 520.50 o 7 4 3 17002.97 17214.73 297.49 o 2 5 3 35408.38 36354.93 629.02 o 3 5 3 6717.06 6794.49 72.87 o 4 5 3 23756.01 23756.55 308.19 o 0 6 3 15066.86 15459.30 316.36 o 2 6 3 4251.12 4205.55 138.07 o 6 6 3 11826.57 11918.63 205.60 o 2 7 3 29896.36 29728.27 1213.00 o 3 7 3 2996.06 3054.21 64.95 o 4 7 3 19706.55 19615.54 272.64 o 0 8 3 3848.92 4235.59 413.44 o 1 8 3 21322.09 21892.80 683.06 o 2 8 3 1897.27 2021.05 52.40 o 5 8 3 17175.77 16791.17 334.60 o 7 8 3 9582.02 10042.76 198.96 o 1 9 3 1876.88 2009.88 76.46 o 3 9 3 6417.38 6080.06 167.94 o 5 9 3 5872.20 6293.71 137.78 o 1 10 3 14717.83 15466.79 289.70 o 5 10 3 11885.99 11264.40 467.42 o 7 10 3 6998.75 7459.15 179.47 o 2 11 3 13274.40 13638.77 989.53 o 3 11 3 3276.17 3348.84 162.37 o 4 11 3 9407.18 9962.35 188.16 o 0 12 3 6171.43 6779.27 208.64 o 6 12 3 5580.54 5551.38 317.43 o 2 13 3 7625.80 7558.81 692.75 o 4 13 3 6481.52 7180.26 195.53 o 0 0 4 180234.36 207494.88 5086.14 o 2 0 4 3252.86 3230.32 69.19 o 4 0 4 12026.58 13346.91 1125.83 o 6 0 4 74043.99 78584.05 2268.17 o 2 1 4 6491.77 6099.88 617.20 o 3 1 4 30590.96 32339.42 579.75 o 4 1 4 12302.13 12961.22 399.20 o 6 1 4 2198.66 2617.70 137.04 o 0 2 4 5108.93 5223.41 78.79 o 1 2 4 9057.00 8888.63 410.93 o 2 2 4 18682.31 17442.26 554.98 o 4 2 4 20198.87 20541.58 322.29 o 5 2 4 4536.36 4923.51 298.99 o 6 2 4 2053.25 2207.20 65.34 o 7 2 4 10560.29 9997.10 1237.18 o 1 3 4 37688.12 39576.22 504.73 o 2 3 4 772.22 857.51 36.88 o 3 3 4 29503.84 31274.77 542.61 o 5 3 4 21247.62 21104.92 864.33 o 7 3 4 21138.38 21522.41 1007.79 o 0 4 4 3339.53 3600.59 62.98 o 1 4 4 15478.20 16017.85 538.53 o 2 4 4 14743.14 14495.82 438.60 o 4 4 4 15278.29 15370.04 312.90 o 5 4 4 8901.73 8640.58 106.78 o 7 4 4 9456.42 9687.52 147.74 o 2 5 4 4835.34 4771.90 201.25 o 3 5 4 27009.39 26690.24 1112.05 o 4 5 4 8169.54 7414.12 437.72 o 0 6 4 71535.45 73387.27 2521.23 o 2 6 4 1611.07 2438.71 169.49 o 6 6 4 41949.24 42242.06 930.62 o 2 7 4 4170.68 4248.96 160.78 o 3 7 4 24743.73 24259.20 299.98 o 4 7 4 7780.54 7129.44 718.37 o 0 8 4 3761.42 3748.82 298.06 o 1 8 4 4725.09 5070.25 160.82 o 2 8 4 8677.18 8607.59 209.03 o 4 8 4 10010.74 10057.73 516.19 o 5 8 4 2608.20 2814.47 127.14 o 6 8 4 1888.45 2193.57 140.25 o 7 8 4 6000.01 5744.47 130.39 o 8 8 4 2883.82 3339.85 129.34 o 1 9 4 17791.33 17291.51 671.42 o 3 9 4 15695.38 15722.44 500.80 o 5 9 4 8228.25 7382.50 488.06 o 7 9 4 12359.14 11811.72 344.12 o 1 10 4 3893.21 4194.23 85.41 o 2 10 4 4800.34 4928.02 94.95 o 4 10 4 4042.06 4017.96 170.82 o 5 10 4 2242.65 1976.80 132.21 o 7 10 4 5173.62 5339.24 254.17 o 8 10 4 2716.79 3047.90 187.94 o 2 11 4 3333.66 4188.60 204.13 o 3 11 4 9709.76 9607.84 292.55 o 0 12 4 24430.69 25891.94 634.07 o 6 12 4 16794.84 16606.04 353.12 o 3 13 4 6114.06 7260.95 394.17 o 2 14 4 2462.73 3192.95 212.18 o 0 0 5 11738.29 11267.13 306.15 o 4 0 5 2153.56 2079.77 98.05 o 6 0 5 10769.34 9729.01 633.21 o 2 1 5 32245.82 33628.83 722.29 o 3 1 5 1823.29 1710.02 96.11 o 4 1 5 23614.96 23480.22 485.34 o 5 1 5 2540.34 2650.53 70.98 o 0 2 5 6467.92 6215.12 452.83 o 1 2 5 32526.32 33874.44 996.16 o 5 2 5 24422.95 24704.06 411.11 o 6 2 5 4356.09 4253.52 128.35 o 7 2 5 11140.97 11210.02 519.23 o 1 3 5 1493.85 1406.21 134.30 o 3 3 5 15212.43 16158.86 358.43 o 5 3 5 5612.27 5522.69 81.16 o 0 4 5 3367.85 3303.30 204.32 o 1 4 5 29159.84 29908.10 945.24 o 5 4 5 22728.82 22521.76 320.16 o 6 4 5 3287.17 3381.80 93.91 o 7 4 5 12029.11 11507.43 925.48 o 2 5 5 23579.28 19670.18 2257.73 o 3 5 5 2088.89 2029.32 87.28 o 4 5 5 16414.19 15782.31 698.09 o 5 5 5 3011.41 3233.03 82.48 o 8 5 5 10760.94 10919.88 324.12 o 0 6 5 7722.12 7708.24 320.09 o 2 6 5 5217.21 5096.88 169.25 o 4 6 5 1492.18 1441.76 90.24 o 6 6 5 6598.27 6604.40 662.69 o 8 6 5 6315.33 6616.06 167.44 o 2 7 5 20142.14 20833.68 321.13 o 4 7 5 14074.67 14000.37 469.84 o 8 7 5 9520.54 9429.83 929.86 o 0 8 5 5019.24 5312.42 437.66 o 1 8 5 14605.38 14690.76 177.35 o 5 8 5 12095.35 11900.77 336.85 o 6 8 5 3704.31 3502.43 381.79 o 7 8 5 7454.75 7397.91 982.90 o 3 9 5 7336.67 7091.16 430.32 o 5 9 5 2880.30 2652.50 128.13 o 1 10 5 10843.86 11098.60 163.89 o 5 10 5 8913.92 8859.02 509.59 o 7 10 5 5509.95 6147.62 226.28 o 2 11 5 10734.71 11221.01 358.76 o 8 11 5 5750.48 5164.27 434.77 o 0 12 5 3236.02 3102.46 690.89 o 2 13 5 6356.59 6866.09 479.98 o 2 0 6 21986.89 22772.11 595.91 o 4 0 6 23953.71 25274.23 488.67 o 6 0 6 15279.07 14692.10 1370.57 o 1 1 6 11047.01 11026.06 276.14 o 2 1 6 8683.79 8283.72 158.30 o 4 1 6 9040.41 8670.48 257.18 o 5 1 6 6702.79 7054.96 132.40 o 7 1 6 6404.51 5608.61 104.65 o 0 2 6 19142.99 19225.63 378.70 o 5 2 6 2211.49 1749.18 102.95 o 6 2 6 13048.56 12481.95 367.55 o 7 2 6 7914.24 7809.21 175.70 o 1 3 6 3674.56 3396.48 122.91 o 3 3 6 61036.99 64159.12 1515.51 o 7 3 6 3293.94 3298.90 106.82 o 0 4 6 24262.97 26401.01 1173.10 o 1 4 6 6380.06 6219.23 120.33 o 5 4 6 3684.48 3290.69 98.19 o 6 4 6 13020.37 12766.04 160.11 o 7 4 6 7620.37 7188.56 420.45 o 1 5 6 11869.16 11792.56 678.81 o 2 5 6 3069.25 2741.16 97.58 o 3 5 6 3820.70 3819.59 247.34 o 4 5 6 5532.36 4678.50 240.48 o 5 5 6 4394.81 4381.75 140.51 o 7 5 6 7866.78 7793.47 164.76 o 0 6 6 15286.11 14507.09 856.98 o 2 6 6 13884.67 14996.17 292.29 o 4 6 6 14104.73 14430.21 392.91 o 6 6 6 9790.30 9444.09 555.89 o 8 6 6 5970.67 5403.51 1430.61 o 1 7 6 6446.74 6785.67 114.20 o 2 7 6 3990.88 4311.59 385.84 o 4 7 6 5774.36 5153.19 302.29 o 5 7 6 4049.26 3454.49 277.27 o 7 7 6 4379.81 4180.42 415.26 o 8 7 6 2347.21 3189.32 189.70 o 0 8 6 12769.64 13235.87 252.07 o 1 8 6 4763.87 4740.21 100.65 o 5 8 6 3030.53 2947.54 132.59 o 6 8 6 8964.53 8425.55 1254.89 o 7 8 6 3871.07 4273.31 465.40 o 3 9 6 26233.42 27311.59 2010.10 o 0 10 6 9652.84 10157.33 242.94 o 1 10 6 3270.75 3462.86 241.70 o 7 10 6 3665.05 3234.07 223.92 o 1 11 6 3276.35 3394.54 241.35 o 0 12 6 8940.68 8211.71 740.58 o 6 0 7 10542.91 9282.33 185.45 o 2 1 7 20086.76 19454.12 1512.43 o 3 1 7 3485.71 3232.61 62.90 o 4 1 7 14371.17 13982.49 228.89 o 8 1 7 9998.40 9761.79 554.81 o 1 2 7 17494.45 5957.92 1106.37 o 5 2 7 14068.64 14350.27 369.27 o 7 2 7 7456.88 7310.02 322.04 o 1 3 7 3342.40 3328.90 96.13 o 3 3 7 6564.78 5637.65 282.46 o 5 3 7 6010.01 5570.94 377.64 o 1 4 7 15912.72 14510.93 762.29 o 2 4 7 1421.96 921.30 143.03 o 5 4 7 13069.63 12270.11 357.61 o 7 4 7 8203.60 7745.06 173.23 o 2 5 7 14024.18 14788.21 250.50 o 3 5 7 3881.20 3901.74 189.11 o 4 5 7 10290.95 9659.94 133.18 o 8 5 7 7176.91 7002.77 448.38 o 0 6 7 8510.91 8576.40 960.19 o 2 6 7 1441.12 1801.51 139.32 o 6 6 7 7070.31 7356.68 571.29 o 8 6 7 2627.11 2686.08 164.40 o 2 7 7 13207.77 13014.64 270.56 o 3 7 7 1835.38 1714.72 144.64 o 4 7 7 9287.96 8870.87 180.23 o 8 7 7 6668.86 5859.09 1037.12 o 1 8 7 10051.10 10163.49 244.33 o 7 8 7 4979.35 5522.36 297.90 o 1 10 7 7522.11 7380.22 214.22 o 2 11 7 6753.84 6490.51 195.33 o 4 0 8 4082.88 4074.85 589.43 o 6 0 8 26995.67 23434.29 462.91 o 3 1 8 10097.95 10346.65 793.78 o 4 1 8 4926.47 4357.07 226.37 o 2 2 8 5181.89 4422.11 186.42 o 4 2 8 5993.59 6070.81 98.56 o 7 2 8 4623.61 4103.31 113.56 o 3 3 8 11387.11 10088.59 283.95 o 5 3 8 7766.20 7456.29 294.67 o 7 3 8 8401.16 8447.45 417.13 o 2 4 8 4454.31 4788.33 125.09 o 4 4 8 4953.36 4449.27 180.14 o 5 4 8 3745.79 3228.80 158.88 o 3 5 8 9755.91 9481.55 323.93 o 4 5 8 3596.61 3395.16 175.72 o 6 6 8 17689.72 16388.92 705.09 o 3 7 8 9537.55 10799.84 339.07 o 4 7 8 3562.74 3268.55 194.15 o 2 8 8 3379.20 3313.69 142.77 o 4 8 8 4046.42 4106.74 234.51 o 1 9 8 7501.81 7019.44 1109.18 o 2 10 8 2090.22 2011.03 203.74 o 6 0 9 3896.44 3258.74 202.56 o 4 1 9 7966.53 6703.03 438.50 o 8 1 9 5769.04 5377.25 266.03 o 5 2 9 8638.17 7451.92 537.79 o 7 2 9 4409.73 3870.42 200.36 o 5 4 9 8524.19 7710.70 199.15 o 7 4 9 4800.68 3699.86 597.38 o 4 5 9 6142.57 5218.21 355.33 o