#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9009293.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_9009293 _chemical_name 'Eitelite' loop_ _publ_author_name 'Knobloch D' 'Pertlik F' 'Zemann J' _journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte" _journal_volume 1980 _journal_year 1980 _journal_page_first 230 _journal_page_last 236 _publ_section_title ; Crystal structure refinements of buetschliite and eitelite: a contribution to the stereochemistry of trigonal carbonate minerals Note: synthetic ; _chemical_formula_sum 'Na2 Mg C2 O6' _cell_length_a 4.946 _cell_length_b 4.946 _cell_length_c 16.422 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 347.908 _symmetry_space_group_name_H-M 'R -3' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Na 0.00000 0.00000 0.20144 Mg 0.00000 0.00000 0.00000 C 0.00000 0.00000 0.59049 O 0.21004 0.91957 0.58941