#------------------------------------------------------------------------------ #$Date: 2013-04-28 20:39:13 +0300 (Sun, 28 Apr 2013) $ #$Revision: 82152 $ #$URL: file:///home/coder/svn-repositories/cod/cif/8/10/33/8103386.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_8103386 loop_ _publ_author_name 'Stucky, G.D.' 'Nicol, J.M.' 'Liang, C.S.' 'Harrison, W.T.A.' _publ_section_title ; Microporous, noncentrosymmetric, octahedral/tetrahedral-framework phases: K2/3 Li1/3 Nb2 P O8, K2/3 Li1/3 Ta2 P O8 and K2/3 Ag1/3 Nb2P O8 ; _journal_name_full 'Zeitschrift fuer Kristallographie (149,1979-)' _journal_page_first 781 _journal_page_last 788 _journal_volume 209 _journal_year 1994 _chemical_formula_sum 'Ag0.333 K0.667 Nb2 O8 P' _chemical_name_systematic 'Potassium silver diniobophosphate(V) (0.67/0.33/1)' _space_group_IT_number 155 _symmetry_space_group_name_Hall 'P 3* 2' _symmetry_space_group_name_H-M 'R 3 2 :R' _cell_angle_alpha 104.698 _cell_angle_beta 104.698 _cell_angle_gamma 104.698 _cell_formula_units_Z 3 _cell_length_a 8.5212 _cell_length_b 8.5212 _cell_length_c 8.5212 _cell_volume 544.415 _citation_journal_id_ASTM ZEKRDZ _[local]_cod_data_source_file silver0-1_62.cif _[local]_cod_data_source_block Ag0.333K0.667Nb2O8P1 _[local]_cod_cif_authors_sg_Hall 'R 3 2" (-y+z,x+z,-x+y+z)' _[local]_cod_chemical_formula_sum_orig 'Ag0.333 K0.667 Nb2 O8 P1' _cod_original_cell_volume 544.4152 _cod_database_code 8103386 loop_ _symmetry_equiv_pos_as_xyz x,y,z z,x,y y,z,x -y,-x,-z -z,-y,-x -x,-z,-y loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O2 O-2 0.7886 0.9266 0.687 1 O4 O-2 0.0222 -0.0222 0.5 1 Nb1 Nb+5 0.9608 0.8476 0.6451 1 K1 K+1 0.5 0.806 0.194 0.667 O5 O-2 0.1504 0 0.8496 1 P1 P+5 0.7307 0.5 0.2693 1 O3 O-2 0.1252 0.7138 0.5781 1 O1 O-2 0.7664 0.6438 0.4418 1 Ag1 Ag+1 0.5 0.5 0.5 1