#------------------------------------------------------------------------------ #$Date: 2016-04-06 15:35:39 +0300 (Wed, 06 Apr 2016) $ #$Revision: 181862 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/1/54/05/1540576.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1540576 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.21601(27) _cell_length_b 5.21601(27) _cell_length_c 11.48750(76) _cod_data_source_file CaGd1p8MoO44_0p2Er.fcf _cod_data_source_block a #BEGIN Tags that were not found in dictionaries: _shelx_f_squared_multiplier 1 #END Tags that were not found in dictionaries loop_ _symmetry_equiv_pos_as_xyz '-x, -y, -z' '-x, -y+1/2, z' '-x+1/2, -y, z+1/2' '-x+1/2, -y+1/2, -z+1/2' '-y+1/4, x+1/4, -z+1/4' '-y+1/4, x-1/4, z-1/4' '-y-1/4, x+1/4, z+1/4' '-y-1/4, x-1/4, -z-1/4' 'y+1/4, -x+1/4, z+1/4' 'y+1/4, -x-1/4, -z-1/4' 'y-1/4, -x+1/4, -z+1/4' 'y-1/4, -x-1/4, z-1/4' 'x, y, z' 'x, y+1/2, -z' 'x+1/2, y, -z+1/2' 'x+1/2, y+1/2, z+1/2' loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc 0 1 1 0.74 0.73 180.00000 1 1 2 26.56 25.99 180.00000 0 1 3 0.45 0.41 180.00000 0 0 4 2.63 3.07 180.00000 0 2 0 6.26 6.12 180.00000 0 2 2 0.21 0.16 180.00000 2 1 1 0.21 0.20 0.00000 1 2 1 0.96 0.92 180.00000 1 1 4 1.43 0.80 180.00000 0 1 5 0.04 0.04 180.00000 2 1 3 0.86 0.78 180.00000 1 2 3 0.23 0.20 180.00000 0 2 4 22.74 21.73 0.00000 2 2 0 9.99 9.54 180.00000 2 2 2 0.12 0.11 180.00000 0 3 1 0.05 0.04 180.00000 1 1 6 10.88 12.53 0.00000 2 1 5 0.82 0.60 0.00000 1 2 5 0.28 0.20 0.00000 1 3 2 12.96 12.29 0.00000 3 1 2 10.68 10.14 180.00000 0 3 3 0.11 0.10 0.00000 0 1 7 0.05 0.04 0.00000 2 2 4 9.85 9.38 0.00000 0 2 6 0.01 0.01 180.00000 0 0 8 2.76 2.55 0.00000 2 3 1 0.72 0.71 0.00000 3 2 1 0.05 0.05 180.00000 1 3 4 0.03 0.02 180.00000 3 1 4 0.05 0.04 0.00000 0 3 5 0.54 0.59 180.00000 2 3 3 0.08 0.06 0.00000 3 2 3 0.65 0.50 0.00000 1 2 7 0.54 0.49 180.00000 2 1 7 0.11 0.11 0.00000 1 1 8 0.47 0.42 180.00000