#------------------------------------------------------------------------------ #$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9000298.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_9000298 _space_group_IT_number 148 _symmetry_space_group_name_Hall '-R 3' _symmetry_space_group_name_H-M 'R -3 :H' _[local]_cod_cif_authors_sg_H-M 'R -3' loop_ _publ_author_name 'Pabst A' _publ_section_title ; The crystallography and structure of eitelite, Na2Mg(CO3)2 ; _journal_name_full 'American Mineralogist' _journal_page_first 211 _journal_page_last 217 _journal_volume 58 _journal_year 1973 _chemical_formula_sum 'C2 Mg Na2 O6' _[local]_cod_chemical_formula_sum_orig 'Na2 Mg C2 O6' _chemical_name_mineral Eitelite _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_length_a 4.942 _cell_length_b 4.942 _cell_length_c 16.406 _cell_volume 347.007 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 _atom_site_U_iso_or_equiv Na 0.00000 0.00000 0.19600 0.00507 Mg 0.00000 0.00000 0.00000 0.00507 C 0.00000 0.00000 0.41000 0.00507 O 0.29300 0.09200 0.41000 0.00507