#------------------------------------------------------------------------------ #$Date: 2017-10-06 19:24:22 +0300 (Fri, 06 Oct 2017) $ #$Revision: 201816 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/42/9014225.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_9014225 loop_ _publ_author_name 'von Heidenstam, O.' _publ_section_title ; Neutron and X-ray diffraction studies on tapiolite and some synthetic substances of trirutile structure Note: Crystal A and B combined ; _journal_name_full 'Arkiv for Kemi' _journal_page_first 375 _journal_page_last 387 _journal_volume 28 _journal_year 1968 _chemical_formula_sum 'Fe Nb0.2 O6 Ta1.8' _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 4.7515 _cell_length_b 4.7515 _cell_length_c 9.254 _cell_volume 208.925 _database_code_amcsd 0017875 _exptl_crystal_density_diffrn 7.887 _cod_original_formula_sum 'Fe (Nb.2 Ta1.8) O6' _cod_database_code 9014225 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 _atom_site_U_iso_or_equiv Fe 0.00000 0.00000 0.00000 1.00000 0.01406 Nb 0.00000 0.00000 0.33290 0.10000 0.01279 Ta 0.00000 0.00000 0.33290 0.90000 0.01279 O1 0.30300 0.30300 0.00000 1.00000 0.00975 O2 0.29860 0.29860 0.32980 1.00000 0.01203 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 AMCSD 0017875