data_global _chemical_name_mineral 'Marialite' loop_ _publ_author_name 'Sokolova E V' 'Kabalov Y K' 'Sherriff B L' 'Teertstra D K' 'Jenkins D M' 'Kunath-Fandrei G' 'Goetz S' 'Jager C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 34 _journal_year 1996 _journal_page_first 1039 _journal_page_last 1050 _publ_section_title ; Marialite: Rietveld structure-refinement and Si MAS and Al satellite transition NMR spectroscopy Sample: syn-mar ; _database_code_amcsd 0005510 _chemical_formula_sum 'Na4 (Si9 Al3) O24 Cl.98' _cell_length_a 12.0396 _cell_length_b 12.0396 _cell_length_c 7.5427 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1093.329 _exptl_crystal_density_diffrn 2.565 _symmetry_space_group_name_H-M 'I 4/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-y,x,z' '1/2-y,1/2+x,1/2+z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'y,-x,z' '1/2+y,1/2-x,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv NaM 0.37410 0.29970 0.50000 1.00000 0.05699 SiT1 0.33860 0.41070 0.00000 0.75000 0.01330 AlT1 0.33860 0.41070 0.00000 0.25000 0.01330 SiT2 0.66110 0.91540 0.79360 0.75000 0.01836 AlT2 0.66110 0.91540 0.79360 0.25000 0.01836 O1 0.45640 0.35220 0.00000 1.00000 0.01900 O2 0.69090 0.88230 0.00000 1.00000 0.01900 O3 0.35380 0.94880 0.78450 1.00000 0.02533 O4 0.26910 0.37290 0.82500 1.00000 0.02533 Cl 0.50000 0.50000 0.50000 0.98000 0.04813