#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9000132.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_9000132 _chemical_name 'Greenalite' loop_ _publ_author_name 'Shirozu H' 'Bailey S W' _journal_name_full "American Mineralogist" _journal_volume 50 _journal_year 1965 _journal_page_first 868 _journal_page_last 885 _publ_section_title ; Chlorite polytypism: III. Crystal structure of an orthohexagonal iron chlorite ; _chemical_formula_sum 'Fe1.71 Mg.645 Al1.305 Si1.34 O9 H4' _cell_length_a 5.390 _cell_length_b 9.336 _cell_length_c 14.166 _cell_angle_alpha 90 _cell_angle_beta 90.0 _cell_angle_gamma 90 _cell_volume 712.848 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_Uiso_or_equiv Fe1 0.00000 0.00000 0.00000 0.67000 ? Mg1 0.00000 0.00000 0.00000 0.16500 ? Al1 0.00000 0.00000 0.00000 0.16500 ? Fe2 0.00000 0.33333 0.00000 0.67000 ? Mg2 0.00000 0.33333 0.00000 0.16500 ? Al2 0.00000 0.33333 0.00000 0.16500 ? Fe3 0.00000 0.00000 0.50000 0.47000 ? Mg3 0.00000 0.00000 0.50000 0.26500 ? Al3 0.00000 0.00000 0.50000 0.26500 ? Fe4 0.00000 0.33333 0.50000 0.47000 ? Mg4 0.00000 0.33333 0.50000 0.26500 ? Al4 0.00000 0.33333 0.50000 0.26500 ? Si 0.33280 0.33333 0.19490 0.67000 0.01798 Al 0.33280 0.33333 0.19490 0.33000 0.01798 O1 0.33490 0.33333 0.07700 1.00000 0.02394 O-H1 0.33490 0.00000 0.07700 1.00000 0.02394 O2 0.09400 0.23600 0.23600 1.00000 0.02698 O3 0.31000 0.50000 0.23600 1.00000 0.01912 O-H2 0.16560 0.16667 0.43030 1.00000 0.03268 O-H3 0.16560 0.50000 0.43030 1.00000 0.03268