#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/32/2203260.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_2203260_Fobs loop_ _publ_author_name 'Gutzmann, Andreas' 'N\"ather, Christian' 'Bensch, Wolfgang' _publ_section_title ; Cs~3~Hf~2~(P~2~S~7~)~2~(PS~4~) ; _journal_issue 3 _journal_name_full 'Acta Crystallographica Section E' _journal_page_first i42 _journal_page_last i44 _journal_volume 60 _journal_year 2004 _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90.000 _cell_angle_beta 94.236 _cell_angle_gamma 90.000 _cell_length_a 9.3168 _cell_length_b 9.8985 _cell_length_c 34.0830 _exptl_crystal_F_000 2688.00 _reflns_d_resolution_high 0.9050 _[local]_cod_data_source_file br6136Isup2.hkl _[local]_cod_data_source_block I #BEGIN Tags that were not found in dictionaries: _shelx_title ' Agu721 in Cc' _shelx_refln_list_code 4 _shelx_f_calc_maximum 1154.28 _shelx_f_squared_multiplier 1.000 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x, -y, z+1/2' 'x+1/2, y+1/2, z' 'x+1/2, -y+1/2, z+1/2' 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 -37 40216.99 40492.91 1655.24 o -2 0 -36 28551.65 29273.25 1830.41 o 0 0 -36 18877.33 22605.27 1722.94 o 2 0 -36 13322.06 11588.19 1781.88 o -1 1 -36 15034.30 14928.24 1492.82 o 1 1 -36 1908.06 2846.07 1409.11 o 3 1 -36 11463.96 12878.40 1780.26 o 0 2 -36 4866.62 4266.76 1413.41 o 2 2 -36 15892.54 22432.20 1896.33 o 1 3 -36 23657.58 20885.04 1614.61 o -1 1 -35 29168.46 28597.91 969.54 o 1 1 -35 12459.13 13051.10 1508.50 o 3 1 -35 19176.17 20241.64 1886.25 o -2 2 -35 69970.36 70346.13 1776.31 o 0 2 -35 14995.10 14081.97 1263.29 o 2 2 -35 10103.23 14376.21 1693.89 o -1 3 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17504.72 1818.55 o 0 6 -29 30928.67 29127.11 1002.35 o 2 6 -29 29485.08 26134.10 1949.57 o -6 0 -28 31813.07 34036.55 1631.61 o -4 0 -28 66995.15 79918.20 1590.31 o -2 0 -28 19781.69 21134.34 1268.11 o 0 0 -28 78885.02 100010.60 1823.18 o 2 0 -28 189513.53 214844.08 2611.49 o -5 1 -28 3797.93 4275.26 950.23 o -3 1 -28 87726.27 93356.70 2753.79 o -1 1 -28 44780.34 47272.59 4120.44 o 1 1 -28 36918.38 35442.65 3202.43 o 3 1 -28 34561.45 37247.56 1795.10 o -4 2 -28 66397.63 59746.66 1530.09 o -2 2 -28 31268.46 28338.69 1188.31 o 0 2 -28 104510.92 117562.54 1935.66 o 2 2 -28 9818.82 11751.33 1363.78 o 4 2 -28 11222.53 11627.42 1862.72 o -5 3 -28 5214.74 6052.70 1865.61 o -3 3 -28 3625.37 4637.08 905.78 o -1 3 -28 6674.03 6312.94 3066.20 o 1 3 -28 611.65 461.90 729.97 o 3 3 -28 12465.50 10658.86 1634.72 o 5 3 -28 52734.25 47092.77 2373.54 o -4 4 -28 16406.51 15492.46 957.48 o -2 4 -28 9365.04 11043.47 911.29 o 0 4 -28 39130.21 43543.75 3678.88 o 2 4 -28 8003.55 11117.97 1060.07 o 4 4 -28 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