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: PAM-1 ; _database_code_amcsd 0005511 _chemical_formula_sum '(Na3.52 K.28 Ca.2) (Si8.88 Al3.12) O24 Cl' _cell_length_a 12.047 _cell_length_b 12.047 _cell_length_c 7.5602 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1097.213 _exptl_crystal_density_diffrn 2.582 _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 0.37510 0.29810 0.50000 0.88000 0.04597 KM 0.37510 0.29810 0.50000 0.07000 0.04597 CaM 0.37510 0.29810 0.50000 0.05000 0.04597 SiT1 0.33730 0.41090 0.00000 0.74000 0.00899 AlT1 0.33730 0.41090 0.00000 0.26000 0.00899 SiT2 0.66110 0.91510 0.79390 0.74000 0.00671 AlT2 0.66110 0.91510 0.79390 0.26000 0.00671 O1 0.45330 0.35240 0.00000 1.00000 0.02280 O2 0.69410 0.88010 0.00000 1.00000 0.02153 O3 0.35180 0.94850 0.78920 1.00000 0.01773 O4 0.27180 0.37260 0.82160 1.00000 0.01900 Cl 0.50000 0.50000 0.50000 1.00000 0.05953