#------------------------------------------------------------------------------ #$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $ #$Revision: 176465 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/42/9014223.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # 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_9014223 loop_ _publ_author_name 'Effenberger, H.' 'Pertlik, F.' _publ_section_title ; Four monazite type structures: comparison of SrCrO4, SrSeO4, PbCrO4 (crocoite), and PbSeO4 ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 75 _journal_page_last 83 _journal_volume 176 _journal_year 1986 _chemical_compound_source Synthetic _chemical_formula_sum 'O4 Pb Se' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2yn' _symmetry_space_group_name_H-M 'P 1 21/n 1' _cell_angle_alpha 90 _cell_angle_beta 103.14 _cell_angle_gamma 90 _cell_length_a 7.154 _cell_length_b 7.407 _cell_length_c 6.954 _cell_volume 358.842 _database_code_amcsd 0019488 _exptl_crystal_density_diffrn 6.481 _cod_original_formula_sum 'Pb Se O4' _cod_database_code 9014223 _amcsd_formula_title PbSeO4 loop_ _space_group_symop_operation_xyz x,y,z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2-z -x,-y,-z loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pb 0.02170 0.02040 0.01780 -0.00090 0.00410 -0.00010 Se 0.01710 0.01620 0.01220 -0.00010 0.00150 -0.00030 O1 0.04800 0.01800 0.01900 0.00600 0.00600 0.00400 O2 0.02800 0.02100 0.03100 0.00500 0.01100 -0.00900 O3 0.01800 0.02700 0.02200 -0.00400 -0.00300 -0.00100 O4 0.01800 0.03400 0.02000 -0.00500 0.00300 -0.00700 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pb 0.21598 0.14932 0.40191 Se 0.19595 0.16362 0.88195 O1 0.23970 0.00570 0.04900 O2 0.11960 0.33960 0.98580 O3 0.02520 0.11020 0.68510 O4 0.38060 0.20830 0.78810