#------------------------------------------------------------------------------ #$Date: 2018-06-10 15:56:51 +0300 (Sun, 10 Jun 2018) $ #$Revision: 208256 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/69/2106934.cif $ #------------------------------------------------------------------------------ # # 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_2106934 loop_ _publ_author_name 'Petricek, V.' 'Cisarova, I.' 'de Boer, J.L.' 'Zhou, W.' 'Meetsma, A.' 'Wiegers, A.' 'van Smaalen, S.' _publ_section_title ; The modulated structure of the commensurate misfit-layer (Bi Se)1.09 Ta Se2 ; _journal_name_full 'Acta Crystallographica B (39,1983-)' _journal_page_first 258 _journal_page_last 266 _journal_volume 49 _journal_year 1993 _chemical_formula_sum 'Se2 Ta' _chemical_name_systematic '(Bi Se)1.09 Ta Se2' _space_group_crystal_system orthorhombic _space_group_IT_number 42 _space_group_name_Hall 'F -2 -2' _space_group_name_H-M_alt 'F m 2 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 3.421 _cell_length_b 5.97 _cell_length_c 24.341 _cell_volume 497.125 _citation_journal_id_ASTM ASBSDK _cod_data_source_file Petricek_ASBSDK_1993_776.cif _cod_data_source_block Se2Ta1 _cod_depositor_comments ; Updating space group information. Antanas Vaitkus, 2018-06-11 ; _cod_original_cell_volume 497.1252 _cod_original_formula_sum 'Se2 Ta1' _cod_database_code 2106934 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,y,-z 3 x,y,-z 4 -x,y,z 5 x+1/2,y+1/2,z 6 -x+1/2,y+1/2,-z 7 x+1/2,y+1/2,-z 8 -x+1/2,y+1/2,z 9 x,y+1/2,z+1/2 10 -x,y+1/2,-z+1/2 11 x,y+1/2,-z+1/2 12 -x,y+1/2,z+1/2 13 x+1/2,y,z+1/2 14 -x+1/2,y,-z+1/2 15 x+1/2,y,-z+1/2 16 -x+1/2,y,z+1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ta1 Ta+2 0 0 0 1 0.0 Se1 Se-2 0 0.334 -0.06837 1 0.0