#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/31/08/2310805.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_2310805 loop_ _publ_author_name 'Ahtee, M.' 'Hewat, A.W.' _publ_section_title ; Structural Phase Transitions in Sodium-Potassium Niobate Solid Solutions by Neutron Powder Diffraction ; _journal_name_full 'Acta Crystallographica A (24,1968-38,1982)' _journal_page_first 309 _journal_page_last 317 _journal_volume 34 _journal_year 1978 _chemical_formula_sum 'K0.1 Na0.9 Nb O3' _chemical_name_systematic 'Na0.9 K0.1 Nb O3' _space_group_IT_number 127 _symmetry_space_group_name_Hall '-P 4 2ab' _symmetry_space_group_name_H-M 'P 4/m b m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.5783 _cell_length_b 5.5783 _cell_length_c 3.9443 _cell_volume 122.736 _citation_journal_id_ASTM ACACBN _cod_data_source_file Ahtee_ACACBN_1978_430.cif _cod_data_source_block K0.1Na0.9Nb1O3 _cod_original_cell_volume 122.7365 _cod_original_formula_sum 'K0.1 Na0.9 Nb1 O3' _cod_database_code 2310805 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x+1/2,-y+1/2,-z y+1/2,x+1/2,-z -x+1/2,y+1/2,-z -y+1/2,-x+1/2,-z -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x-1/2,y-1/2,z -y-1/2,-x-1/2,z x-1/2,-y-1/2,z y-1/2,x-1/2,z 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 O2 O-2 0.2361 0.7361 0 1 0.0 K1 K+1 0 0.5 0.5 0.1 0.0 Na1 Na+1 0 0.5 0.5 0.9 0.0 Nb1 Nb+5 0 0 0 1 0.0 O1 O-2 0 0 0.5 1 0.0