#------------------------------------------------------------------------------ #$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $ #$Revision: 292002 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/56/9015605.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_9015605 loop_ _publ_author_name 'Zema, M.' 'Tarantino, S. C.' 'Giorgiani, A.' _publ_section_title ; Structural changes induced by cation ordering in ferrotapiolite Note: Crystal Kim1_q0, untreated ; _journal_name_full 'Mineralogical Magazine' _journal_page_first 319 _journal_page_last 328 _journal_paper_doi 10.1180/0026461067030335 _journal_volume 70 _journal_year 2006 _chemical_compound_source 'Kimito, Finland' _chemical_formula_sum 'Fe Nb0.13 O6 Ta1.87' _chemical_name_mineral Tapiolite-(Fe) _space_group_IT_number 136 _symmetry_space_group_name_Hall '-P 4n 2n' _symmetry_space_group_name_H-M 'P 42/m n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 4.7533 _cell_length_b 4.7533 _cell_length_c 9.2876 _cell_formula_units_Z 2 _cell_volume 209.843 _database_code_amcsd 0018700 _exptl_crystal_density_diffrn 7.950 _cod_original_formula_sum 'Fe Ta1.87 Nb.13 O6' _cod_database_code 9015605 loop_ _space_group_symop_operation_xyz x,y,z -y,-x,z y,x,-z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2+z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2-z x,y,-z -x,-y,z y,x,z -y,-x,-z 1/2-y,1/2+x,1/2-z 1/2+y,1/2-x,1/2+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_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe(A) 0.00000 0.00000 0.00000 0.43600 Ta(A) 0.00000 0.00000 0.00000 0.56400 Fe(B) 0.00000 0.00000 0.33295 0.28200 Ta(B) 0.00000 0.00000 0.33295 0.65300 Nb(B) 0.00000 0.00000 0.33295 0.06500 O1 0.30300 0.30300 0.00000 1.00000 O2 0.30150 0.30150 0.33200 1.00000 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 AMCSD 0018700