#------------------------------------------------------------------------------ #$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $ #$Revision: 255 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9007469.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_9007469 loop_ _publ_author_name 'Kleber W' 'Liebau F' 'Piatkowiak E' _publ_section_title ; Zur struktur des phosphophyllits, Zn2Fe[PO4]2*4H2O ; _journal_name_full 'Acta Crystallographica' _journal_page_first 795 _journal_page_last 795 _journal_volume 14 _journal_year 1961 _chemical_formula_sum 'Fe Zn2 P2 O12 H8' _chemical_name_mineral Phosphophyllite _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 120.25 _cell_angle_gamma 90 _cell_length_a 10.23 _cell_length_b 5.08 _cell_length_c 10.49 _cell_volume 470.919 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,1/2-y,1/2+z -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 Fe 0.00000 0.00000 0.00000 Zn 0.50000 0.78000 0.14800 P 0.31700 0.21000 0.00000 O1 0.15900 0.34000 0.46700 O2 0.34400 0.50000 0.01900 O3 0.33300 0.46000 0.39000 O4 0.41500 0.11000 0.15500 Wat1 0.00200 0.33000 0.12900 Wat2 0.18300 0.17000 0.18800