data_global _chemical_name_mineral 'Magnesiotaramite' loop_ _publ_author_name 'Hawthorne F C' 'Oberti R' 'Sardone N' _journal_name_full 'The Canadian Mineralogist' _journal_volume 34 _journal_year 1996 _journal_page_first 577 _journal_page_last 593 _publ_section_title ; Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A5 - G230F N.3 ; _database_code_amcsd 0005490 _chemical_formula_sum 'Si6.24 Al2.88 Mg2.94 Fe.9 Ti.04 Ca1.06 Na2.94 H2 O24' _cell_length_a 9.772 _cell_length_b 17.853 _cell_length_c 5.310 _cell_angle_alpha 90 _cell_angle_beta 104.83 _cell_angle_gamma 90 _cell_volume 895.522 _exptl_crystal_density_diffrn 3.236 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-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 SiT1 0.28100 0.08700 0.30220 0.78000 0.00545 AlT1 0.28100 0.08700 0.30220 0.22000 0.00545 SiT2 0.29200 0.17410 0.81570 0.78000 0.00519 AlT2 0.29200 0.17410 0.81570 0.22000 0.00519 MgM1 0.00000 0.08990 0.50000 0.91000 0.00684 FeM1 0.00000 0.08990 0.50000 0.09000 0.00684 AlM2 0.00000 0.17810 0.00000 0.56000 0.00684 TiM2 0.00000 0.17810 0.00000 0.02000 0.00684 FeM2 0.00000 0.17810 0.00000 0.25000 0.00684 MgM2 0.00000 0.17810 0.00000 0.17000 0.00684 MgM3 0.00000 0.00000 0.00000 0.78000 0.00621 FeM3 0.00000 0.00000 0.00000 0.22000 0.00621 CaM4 0.00000 0.28040 0.50000 0.53000 0.00950 NaM4 0.00000 0.28040 0.50000 0.47000 0.00950 NaAm 0.03040 0.50000 0.08060 0.22000 0.03964 NaA2 0.00000 0.47350 0.00000 0.78000 0.03141 H 0.19810 0.00000 0.76820 1.00000 0.01697 O1 0.10480 0.09180 0.21150 1.00000 0.00887 O2 0.11920 0.17370 0.74310 1.00000 0.00798 O-h3 0.10950 0.00000 0.70930 1.00000 0.00912 O4 0.36850 0.25250 0.79570 1.00000 0.00925 O5 0.35370 0.13980 0.10860 1.00000 0.01102 O6 0.34240 0.11760 0.60950 1.00000 0.01140 O7 0.33820 0.00000 0.27630 1.00000 0.01368