#------------------------------------------------------------------------------ #$Date: 2022-09-25 20:10:12 +0100 (Sun, 25 Sep 2022) $ #$Revision: 278158 $ #$URL: svn://www.crystallography.net/cod/cif/1/01/06/1010658.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_1010658 loop_ _publ_author_name 'Neumann, E W' _publ_section_title ; Roentgenographische Untersuchung an Natriumfluorophosphat ; _journal_coden_ASTM ZEKGAX _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_page_first 298 _journal_page_last 300 _journal_volume 86 _journal_year 1933 _chemical_formula_structural 'Na7 (P O4)2 F (H2 O)19' _chemical_formula_sum 'F H38 Na7 O27 P2' _chemical_name_systematic ; Heptasodium bis(phosphate) fluoride 19-hydrate ; _space_group_IT_number 228 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 228 _symmetry_space_group_name_Hall '-F 4ud 2vw 3' _symmetry_space_group_name_H-M 'F d -3 c :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 40 _cell_length_a 27.86 _cell_length_b 27.86 _cell_length_c 27.86 _cell_volume 21624.4 _cod_original_sg_symbol_H-M 'F d -3 c Z' _cod_original_formula_sum 'H38 F Na7 O27 P2' _cod_database_code 1010658 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,1/4-y,1/4-z 1/4-x,y,1/4-z 1/4-x,1/4-y,z y,z,x 1/4-y,1/4-z,x y,1/4-z,1/4-x 1/4-y,z,1/4-x z,x,y 1/4-z,x,1/4-y 1/4-z,1/4-x,y z,1/4-x,1/4-y -x,-y,-z -x,3/4+y,3/4+z 3/4+x,-y,3/4+z 3/4+x,3/4+y,-z -y,-z,-x 3/4+y,3/4+z,-x -y,3/4+z,3/4+x 3/4+y,-z,3/4+x -z,-x,-y 3/4+z,-x,3/4+y 3/4+z,3/4+x,-y -z,3/4+x,3/4+y x,z,1/2+y x,1/4-z,3/4-y 1/4-x,1/4-z,1/2+y 1/4-x,z,3/4-y y,x,1/2+z 1/4-y,x,3/4-z y,1/4-x,3/4-z 1/4-y,1/4-x,1/2+z z,y,1/2+x 1/4-z,1/4-y,1/2+x 1/4-z,y,3/4-x z,1/4-y,3/4-x -x,-z,1/2-y -x,3/4+z,1/4+y 3/4+x,3/4+z,1/2-y 3/4+x,-z,1/4+y -y,-x,1/2-z 3/4+y,-x,1/4+z -y,3/4+x,1/4+z 3/4+y,3/4+x,1/2-z -z,-y,1/2-x 3/4+z,3/4+y,1/2-x 3/4+z,-y,1/4+x -z,3/4+y,1/4+x x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2+x,1/2+y,z x,3/4-y,3/4-z 1/2+x,1/4-y,3/4-z 1/2+x,3/4-y,1/4-z 1/4-x,1/2+y,3/4-z 3/4-x,y,3/4-z 3/4-x,1/2+y,1/4-z 1/4-x,3/4-y,1/2+z 3/4-x,1/4-y,1/2+z 3/4-x,3/4-y,z y,1/2+z,1/2+x 1/2+y,z,1/2+x 1/2+y,1/2+z,x 1/4-y,3/4-z,1/2+x 3/4-y,1/4-z,1/2+x 3/4-y,3/4-z,x y,3/4-z,3/4-x 1/2+y,1/4-z,3/4-x 1/2+y,3/4-z,1/4-x 1/4-y,1/2+z,3/4-x 3/4-y,z,3/4-x 3/4-y,1/2+z,1/4-x z,1/2+x,1/2+y 1/2+z,x,1/2+y 1/2+z,1/2+x,y 1/4-z,1/2+x,3/4-y 3/4-z,x,3/4-y 3/4-z,1/2+x,1/4-y 1/4-z,3/4-x,1/2+y 3/4-z,1/4-x,1/2+y 3/4-z,3/4-x,y z,3/4-x,3/4-y 1/2+z,1/4-x,3/4-y 1/2+z,3/4-x,1/4-y -x,1/2-y,1/2-z 1/2-x,-y,1/2-z 1/2-x,1/2-y,-z -x,1/4+y,1/4+z 1/2-x,3/4+y,1/4+z 1/2-x,1/4+y,3/4+z 3/4+x,1/2-y,1/4+z 1/4+x,-y,1/4+z 1/4+x,1/2-y,3/4+z 3/4+x,1/4+y,1/2-z 1/4+x,3/4+y,1/2-z 1/4+x,1/4+y,-z -y,1/2-z,1/2-x 1/2-y,-z,1/2-x 1/2-y,1/2-z,-x 3/4+y,1/4+z,1/2-x 1/4+y,3/4+z,1/2-x 1/4+y,1/4+z,-x -y,1/4+z,1/4+x 1/2-y,3/4+z,1/4+x 1/2-y,1/4+z,3/4+x 3/4+y,1/2-z,1/4+x 1/4+y,-z,1/4+x 1/4+y,1/2-z,3/4+x -z,1/2-x,1/2-y 1/2-z,-x,1/2-y 1/2-z,1/2-x,-y 3/4+z,1/2-x,1/4+y 1/4+z,-x,1/4+y 1/4+z,1/2-x,3/4+y 3/4+z,1/4+x,1/2-y 1/4+z,3/4+x,1/2-y 1/4+z,1/4+x,-y -z,1/4+x,1/4+y 1/2-z,3/4+x,1/4+y 1/2-z,1/4+x,3/4+y x,1/2+z,y 1/2+x,z,y 1/2+x,1/2+z,1/2+y x,3/4-z,1/4-y 1/2+x,1/4-z,1/4-y 1/2+x,3/4-z,3/4-y 1/4-x,3/4-z,y 3/4-x,1/4-z,y 3/4-x,3/4-z,1/2+y 1/4-x,1/2+z,1/4-y 3/4-x,z,1/4-y 3/4-x,1/2+z,3/4-y y,1/2+x,z 1/2+y,x,z 1/2+y,1/2+x,1/2+z 1/4-y,1/2+x,1/4-z 3/4-y,x,1/4-z 3/4-y,1/2+x,3/4-z y,3/4-x,1/4-z 1/2+y,1/4-x,1/4-z 1/2+y,3/4-x,3/4-z 1/4-y,3/4-x,z 3/4-y,1/4-x,z 3/4-y,3/4-x,1/2+z z,1/2+y,x 1/2+z,y,x 1/2+z,1/2+y,1/2+x 1/4-z,3/4-y,x 3/4-z,1/4-y,x 3/4-z,3/4-y,1/2+x 1/4-z,1/2+y,1/4-x 3/4-z,y,1/4-x 3/4-z,1/2+y,3/4-x z,3/4-y,1/4-x 1/2+z,1/4-y,1/4-x 1/2+z,3/4-y,3/4-x -x,1/2-z,-y 1/2-x,-z,-y 1/2-x,1/2-z,1/2-y -x,1/4+z,3/4+y 1/2-x,3/4+z,3/4+y 1/2-x,1/4+z,1/4+y 3/4+x,1/4+z,-y 1/4+x,3/4+z,-y 1/4+x,1/4+z,1/2-y 3/4+x,1/2-z,3/4+y 1/4+x,-z,3/4+y 1/4+x,1/2-z,1/4+y -y,1/2-x,-z 1/2-y,-x,-z 1/2-y,1/2-x,1/2-z 3/4+y,1/2-x,3/4+z 1/4+y,-x,3/4+z 1/4+y,1/2-x,1/4+z -y,1/4+x,3/4+z 1/2-y,3/4+x,3/4+z 1/2-y,1/4+x,1/4+z 3/4+y,1/4+x,-z 1/4+y,3/4+x,-z 1/4+y,1/4+x,1/2-z -z,1/2-y,-x 1/2-z,-y,-x 1/2-z,1/2-y,1/2-x 3/4+z,1/4+y,-x 1/4+z,3/4+y,-x 1/4+z,1/4+y,1/2-x 3/4+z,1/2-y,3/4+x 1/4+z,-y,3/4+x 1/4+z,1/2-y,1/4+x -z,1/4+y,3/4+x 1/2-z,3/4+y,3/4+x 1/2-z,1/4+y,1/4+x loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z ? ? ? ?