#------------------------------------------------------------------------------ #$Date: 2010-06-10 17:11:07 +0200 (Thu, 10 Jun 2010) $ #$Revision: 1210 $ #$URL: svn://www.crystallography.net/cod/cif/9/9009995.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9009995 loop_ _publ_author_name 'Watanabe, T.' _publ_section_title ; Les structures cristallines de la northupite 2MgCO32Na2CO32NaCl et de la tychite 2MgCO32Na2CO3Na2SO4 ; _journal_name_full 'Scientific Papers of the Institute of Physical and Chemical Research' _journal_page_first 40 _journal_page_last 62 _journal_volume 21 _journal_year 1933 _chemical_formula_sum 'C4 Mg2 Na6 O16 S' _chemical_name_mineral Tychite _space_group_IT_number 203 _symmetry_space_group_name_Hall 'F 2 2 3 -1d' _symmetry_space_group_name_H-M 'F d -3 :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 13.90 _cell_length_b 13.90 _cell_length_c 13.90 _cell_volume 2685.619 _exptl_crystal_density_diffrn 2.585 _[local]_cod_cif_authors_sg_H-M 'F d 3' _[local]_cod_chemical_formula_sum_orig 'Mg2 C4 Na6 S O16' _cod_database_code 9009995 _amcsd_database_code AMCSD#0013642 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2+x,1/2+y,z 1/4+z,1/4+x,1/4-y 1/4+z,3/4+x,3/4-y 3/4+z,1/4+x,3/4-y 3/4+z,3/4+x,1/4-y 1/4+z,1/4-x,1/4+y 1/4+z,3/4-x,3/4+y 3/4+z,1/4-x,3/4+y 3/4+z,3/4-x,1/4+y 1/4-z,1/4+x,1/4+y 1/4-z,3/4+x,3/4+y 3/4-z,1/4+x,3/4+y 3/4-z,3/4+x,1/4+y 1/4-z,1/4-x,1/4-y 1/4-z,3/4-x,3/4-y 3/4-z,1/4-x,3/4-y 3/4-z,3/4-x,1/4-y y,-z,-x y,1/2-z,1/2-x 1/2+y,-z,1/2-x 1/2+y,1/2-z,-x -y,-z,x -y,1/2-z,1/2+x 1/2-y,-z,1/2+x 1/2-y,1/2-z,x -y,z,-x -y,1/2+z,1/2-x 1/2-y,z,1/2-x 1/2-y,1/2+z,-x y,z,x y,1/2+z,1/2+x 1/2+y,z,1/2+x 1/2+y,1/2+z,x 1/4+x,1/4-y,1/4+z 1/4+x,3/4-y,3/4+z 3/4+x,1/4-y,3/4+z 3/4+x,3/4-y,1/4+z 1/4-x,1/4+y,1/4+z 1/4-x,3/4+y,3/4+z 3/4-x,1/4+y,3/4+z 3/4-x,3/4+y,1/4+z 1/4+x,1/4+y,1/4-z 1/4+x,3/4+y,3/4-z 3/4+x,1/4+y,3/4-z 3/4+x,3/4+y,1/4-z 1/4-x,1/4-y,1/4-z 1/4-x,3/4-y,3/4-z 3/4-x,1/4-y,3/4-z 3/4-x,3/4-y,1/4-z -z,-x,y -z,1/2-x,1/2+y 1/2-z,-x,1/2+y 1/2-z,1/2-x,y -z,x,-y -z,1/2+x,1/2-y 1/2-z,x,1/2-y 1/2-z,1/2+x,-y z,-x,-y z,1/2-x,1/2-y 1/2+z,-x,1/2-y 1/2+z,1/2-x,-y z,x,y z,1/2+x,1/2+y 1/2+z,x,1/2+y 1/2+z,1/2+x,y 1/4-y,1/4+z,1/4+x 1/4-y,3/4+z,3/4+x 3/4-y,1/4+z,3/4+x 3/4-y,3/4+z,1/4+x 1/4+y,1/4+z,1/4-x 1/4+y,3/4+z,3/4-x 3/4+y,1/4+z,3/4-x 3/4+y,3/4+z,1/4-x 1/4+y,1/4-z,1/4+x 1/4+y,3/4-z,3/4+x 3/4+y,1/4-z,3/4+x 3/4+y,3/4-z,1/4+x 1/4-y,1/4-z,1/4-x 1/4-y,3/4-z,3/4-x 3/4-y,1/4-z,3/4-x 3/4-y,3/4-z,1/4-x -x,y,-z -x,1/2+y,1/2-z 1/2-x,y,1/2-z 1/2-x,1/2+y,-z x,-y,-z x,1/2-y,1/2-z 1/2+x,-y,1/2-z 1/2+x,1/2-y,-z -x,-y,z -x,1/2-y,1/2+z 1/2-x,-y,1/2+z 1/2-x,1/2-y,z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mg 0.62500 0.62500 0.62500 C 0.15000 0.15000 0.85000 Na 0.00000 0.22500 0.00000 S 0.00000 0.00000 0.00000 O1 0.12500 0.10200 0.77700 O2 0.06250 0.06250 0.06250