#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/47/2104767.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_2104767_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_coeditor_code SN5096 _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' _[local]_cod_data_source_file sn5096ambientsup2.hkl _[local]_cod_data_source_block ambient 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 8135.41 6421.62 49.00 o 4 0 0 16055.32 16987.68 97.75 o 6 0 0 124116.82 121643.37 1407.58 o 2 1 0 8328.45 8551.95 65.52 o 3 1 0 48867.97 49422.47 200.35 o 4 1 0 25778.31 26754.36 842.35 o 5 1 0 101.50 336.60 107.87 o 6 1 0 10928.53 10113.10 520.71 o 7 1 0 1081.01 1054.23 51.20 o 8 1 0 2259.76 2225.12 67.01 o 0 2 0 10918.04 11232.72 65.18 o 1 2 0 14808.76 15159.90 118.62 o 2 2 0 45457.12 46733.30 304.66 o 3 2 0 3989.26 2886.72 608.41 o 4 2 0 33862.04 26059.82 4154.54 o 5 2 0 2844.79 2969.39 73.19 o 6 2 0 2778.74 2950.91 180.55 o 7 2 0 18811.00 18909.29 180.17 o 8 2 0 13475.40 12953.69 156.60 o 1 3 0 61983.70 59299.17 722.74 o 2 3 0 1937.82 2293.54 38.23 o 3 3 0 50403.02 50651.47 449.39 o 4 3 0 114.58 155.94 32.68 o 5 3 0 50765.77 49790.50 282.10 o 6 3 0 1113.01 1144.94 44.63 o 7 3 0 19972.76 20419.93 963.25 o 8 3 0 4.92 49.29 42.81 o 9 3 0 15197.23 15017.11 403.45 o 0 4 0 2474.63 2593.94 37.08 o 1 4 0 35441.46 35054.14 225.02 o 2 4 0 27760.55 28034.06 196.83 o 3 4 0 635.32 709.49 17.72 o 4 4 0 21877.25 22244.57 288.71 o 5 4 0 11945.85 12010.84 198.02 o 6 4 0 1118.38 1129.24 33.61 o 7 4 0 18091.70 18725.98 152.02 o 8 4 0 8923.33 9222.38 117.55 o 9 4 0 5067.98 5034.01 131.48 o 1 5 0 41.95 70.18 15.41 o 2 5 0 3954.79 3832.29 95.03 o 3 5 0 50270.61 50140.06 622.21 o 4 5 0 11432.68 11192.30 132.15 o 5 5 0 594.06 696.73 109.74 o 6 5 0 5727.22 5678.47 81.23 o 7 5 0 280.02 236.88 46.04 o 8 5 0 722.10 608.21 53.87 o 9 5 0 18358.10 18074.18 336.71 o 10 5 0 11227.95 11361.35 198.07 o 0 6 0 114578.11 109165.84 1065.42 o 1 6 0 3090.85 3013.77 59.86 o 2 6 0 3271.99 3159.66 71.52 o 3 6 0 178.07 203.57 20.34 o 4 6 0 877.01 911.05 20.97 o 5 6 0 1597.99 1646.89 67.52 o 6 6 0 63780.25 60561.34 700.25 o 7 6 0 351.57 465.72 52.22 o 8 6 0 3163.27 3197.76 69.92 o 9 6 0 26.50 84.06 40.56 o 10 6 0 5.87 84.56 61.60 o 1 7 0 200.02 214.20 17.40 o 2 7 0 7108.84 7114.46 112.30 o 3 7 0 31502.54 30580.80 541.55 o 4 7 0 16371.46 15941.97 400.13 o 5 7 0 909.74 866.88 61.52 o 6 7 0 5833.30 5868.71 153.23 o 7 7 0 213.82 267.25 43.59 o 8 7 0 2297.57 2239.79 66.47 o 9 7 0 7255.98 7417.43 189.37 o 0 8 0 8522.72 8468.88 137.87 o 1 8 0 4333.60 4354.14 59.87 o 2 8 0 18651.69 19110.36 115.54 o 3 8 0 1293.76 1316.70 29.84 o 4 8 0 13672.57 13917.13 134.19 o 5 8 0 1063.43 1082.97 41.63 o 6 8 0 4282.90 4285.58 113.21 o 7 8 0 8424.95 8785.19 111.34 o 8 8 0 9928.10 10261.17 186.54 o 1 9 0 23477.11 23937.58 149.27 o 2 9 0 1750.68 1791.11 35.29 o 3 9 0 21572.36 21608.13 226.02 o 4 9 0 1835.40 1859.75 50.65 o 5 9 0 16112.05 16889.65 307.19 o 6 9 0 35.08 35.00 57.41 o 7 9 0 10073.77 10114.87 127.73 o 0 10 0 55.72 115.17 41.28 o 1 10 0 7592.82 7921.33 96.78 o 2 10 0 5548.17 5697.94 58.48 o 3 10 0 1386.22 1374.17 48.56 o 4 10 0 4434.43 4551.85 73.84 o 5 10 0 2807.71 2985.15 100.79 o 6 10 0 91.63 218.19 65.60 o 1 11 0 122.92 188.49 29.58 o 2 11 0 2372.45 2410.40 60.58 o 3 11 0 18313.54 18925.88 278.83 o 4 11 0 3918.19 4230.78 93.86 o 5 11 0 869.72 816.77 113.79 o 0 12 0 32155.30 32929.99 460.23 o 1 12 0 2152.38 2173.79 55.12 o 2 12 0 1458.56 1402.63 56.56 o 2 0 1 24085.69 25148.04 304.03 o 4 0 1 273.31 403.53 38.27 o 6 0 1 18940.30 19638.50 206.80 o 1 1 1 485.21 497.66 17.45 o 2 1 1 77255.95 80024.00 549.11 o 3 1 1 5484.97 5865.06 64.09 o 4 1 1 60067.55 59263.60 702.78 o 5 1 1 4528.61 4429.14 84.80 o 6 1 1 286.47 299.92 18.13 o 7 1 1 332.82 358.66 30.71 o 8 1 1 19548.45 18403.12 122.78 o 0 2 1 14214.41 14458.06 67.99 o 1 2 1 80586.38 78939.61 1662.23 o 2 2 1 2771.91 2725.39 33.56 o 3 2 1 27.28 163.92 14.43 o 4 2 1 41.72 63.38 12.62 o 5 2 1 40331.70 41405.57 459.34 o 6 2 1 6946.98 6934.37 78.55 o 7 2 1 25090.20 26188.75 671.63 o 8 2 1 5750.15 5738.25 83.95 o 1 3 1 5015.37 5380.50 51.01 o 2 3 1 106.27 203.24 10.50 o 3 3 1 23849.97 24309.08 225.85 o 4 3 1 80.34 196.06 38.61 o 5 3 1 21387.14 20947.72 389.88 o 6 3 1 45.96 119.24 40.41 o 7 3 1 569.08 678.46 61.73 o 8 3 1 1.95 41.58 31.53 o 9 3 1 12603.03 12126.74 310.22 o 0 4 1 2229.84 2438.06 49.25 o 1 4 1 68071.58 63969.25 548.22 o 2 4 1 757.81 721.29 17.98 o 3 4 1 65.08 201.21 18.34 o 4 4 1 698.78 703.29 22.08 o 5 4 1 36689.82 36008.65 445.73 o 6 4 1 2387.54 2344.68 61.61 o 7 4 1 29145.06 29346.72 284.69 o 8 4 1 3616.14 3643.81 63.01 o 9 4 1 553.28 514.04 42.05 o 1 5 1 1324.36 1347.68 20.75 o 2 5 1 40293.94 39605.57 327.96 o 3 5 1 9553.40 9437.89 94.98 o 4 5 1 31807.82 31608.51 185.56 o 5 5 1 7408.96 7117.61 148.56 o 6 5 1 68.55 177.74 36.38 o 7 5 1 35.34 65.65 25.93 o 8 5 1 12672.58 12991.09 240.02 o 9 5 1 5347.53 5345.32 115.94 o 0 6 1 14631.88 14526.53 119.67 o 1 6 1 231.33 304.11 15.13 o 2 6 1 10036.12 9804.92 120.26 o 3 6 1 180.12 233.44 15.80 o 4 6 1 254.36 286.27 12.15 o 5 6 1 50.34 73.87 17.07 o 6 6 1 10966.46 10939.27 194.25 o 7 6 1 588.84 511.22 32.40 o 8 6 1 16977.66 17417.53 223.88 o 9 6 1 421.67 420.78 42.01 o 10 6 1 989.01 795.69 105.74 o 1 7 1 32.61 60.23 15.87 o 2 7 1 37881.81 37449.04 205.69 o 3 7 1 626.10 637.47 16.35 o 4 7 1 32148.63 32089.83 218.73 o 5 7 1 1390.30 1344.31 29.32 o 6 7 1 168.39 158.37 30.81 o 7 7 1 230.57 262.74 29.38 o 8 7 1 12015.19 11936.09 252.73 o 9 7 1 734.76 672.24 49.42 o 0 8 1 12664.41 13183.94 132.12 o 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33283.52 256.57 o 2 1 2 26875.57 27368.13 304.93 o 3 1 2 1779.57 1696.54 23.02 o 4 1 2 24524.74 24993.90 280.68 o 5 1 2 23179.93 22913.33 367.52 o 6 1 2 3320.44 3450.59 90.82 o 7 1 2 10497.26 10639.97 99.81 o 8 1 2 2834.30 2722.57 109.51 o 0 2 2 46930.34 44255.67 845.19 o 1 2 2 6518.15 6273.98 75.26 o 2 2 2 53.91 184.67 21.21 o 3 2 2 6289.09 6225.95 44.29 o 4 2 2 1951.21 1944.86 68.50 o 5 2 2 1083.57 1049.97 29.31 o 6 2 2 31964.69 31570.46 781.91 o 7 2 2 19458.00 19517.21 339.29 o 8 2 2 760.80 727.34 44.50 o 1 3 2 7124.53 7033.11 67.23 o 2 3 2 170.22 175.91 11.65 o 3 3 2 166831.47 166754.89 1936.80 o 4 3 2 216.64 222.52 26.66 o 5 3 2 2820.05 2912.94 114.78 o 6 3 2 14.39 1.04 45.05 o 7 3 2 1471.81 1396.70 53.65 o 8 3 2 24.39 25.32 43.63 o 0 4 2 61198.23 56656.30 407.99 o 1 4 2 17277.28 16818.84 123.37 o 2 4 2 103.42 189.33 21.33 o 3 4 2 2886.00 2809.57 43.18 o 4 4 2 213.71 258.01 14.87 o 5 4 2 5374.01 5057.54 79.38 o 6 4 2 24393.32 24936.14 514.54 o 7 4 2 20524.91 20265.66 252.30 o 8 4 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24.20 o 3 8 2 370.20 390.76 21.66 o 4 8 2 24.50 28.01 17.95 o 5 8 2 2311.12 2261.58 64.31 o 6 8 2 21643.13 20985.19 271.26 o 7 8 2 5992.93 6191.40 166.23 o 8 8 2 978.28 917.52 58.73 o 1 9 2 1414.93 1391.13 29.04 o 2 9 2 3505.07 3499.65 41.88 o 3 9 2 49145.41 50032.16 437.76 o 4 9 2 2004.40 2043.86 44.39 o 5 9 2 2318.99 2346.73 74.85 o 6 9 2 128.94 176.50 36.62 o 7 9 2 146.57 37.92 51.41 o 0 10 2 12691.30 13033.87 152.99 o 1 10 2 8298.97 8461.25 68.42 o 2 10 2 157.38 171.04 26.94 o 3 10 2 822.51 771.48 32.54 o 4 10 2 8.81 59.98 35.81 o 5 10 2 3222.93 3189.96 73.00 o 6 10 2 7268.76 7153.02 237.33 o 1 11 2 6970.92 7113.90 85.17 o 2 11 2 807.22 780.16 34.31 o 3 11 2 3107.12 3057.93 50.67 o 4 11 2 3415.56 3311.45 58.47 o 0 0 3 23444.23 24564.47 403.41 o 2 0 3 11323.20 12018.58 343.49 o 4 0 3 138.42 220.11 32.12 o 6 0 3 19002.06 19713.78 145.12 o 1 1 3 44.10 109.60 17.17 o 2 1 3 56853.80 56076.62 571.67 o 3 1 3 6423.88 6328.71 162.31 o 4 1 3 45529.57 45149.29 349.61 o 5 1 3 2154.38 2122.72 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