data_global _amcsd_formula_title 'Na(NaMg)Mg5Si8O22(OH)2' loop_ _publ_author_name 'Iezzi G' 'Della Ventura G' 'Oberti R' 'Camara F' 'Holtz F' _journal_name_full 'American Mineralogist' _journal_volume 89 _journal_year 2004 _journal_page_first 640 _journal_page_last 646 _publ_section_title ; Synthesis and crystal-chemistry of Na(NaMg)Mg5Si8O22(OH)2, a P2_1/m amphibole ; _database_code_amcsd 0003533 _chemical_formula_sum 'Na2 Mg6 Si8 O24 H2' _cell_length_a 9.689 _cell_length_b 17.938 _cell_length_c 5.268 _cell_angle_alpha 90 _cell_angle_beta 102.50 _cell_angle_gamma 90 _cell_volume 893.882 _exptl_crystal_density_diffrn 2.982 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-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 NaA 0.26540 0.25000 0.04620 1.00000 0.04509 MgM1 -0.24990 0.33820 0.48500 1.00000 0.00823 MgM2 -0.25030 0.42950 0.98420 1.00000 0.00836 MgM3 -0.24940 0.25000 0.98590 1.00000 0.00785 NaM4 -0.24610 0.50540 0.48400 0.50000 0.01064 MgM4 -0.24610 0.50540 0.48400 0.50000 0.01064 SiT1A 0.03240 0.33550 0.26190 1.00000 0.00684 SiT1B 0.53210 0.83460 0.29490 1.00000 0.00659 SiT2A 0.04080 0.42140 0.76770 1.00000 0.00671 SiT2B 0.54390 0.91950 0.79890 1.00000 0.00849 O1A -0.13690 0.33680 0.19730 1.00000 0.00735 O1B 0.36290 0.83660 0.22550 1.00000 0.00722 O2A -0.13020 0.42170 0.70180 1.00000 0.00975 O2B 0.37340 0.92190 0.73550 1.00000 0.00912 O-h3A -0.13940 0.25000 0.69430 1.00000 0.00861 O-h3B 0.35770 0.75000 0.72210 1.00000 0.00912 O4A 0.11990 0.49930 0.79590 1.00000 0.01469 O4B 0.62580 0.99380 0.76580 1.00000 0.02280 O5A 0.09690 0.36740 0.02370 1.00000 0.01267 O5B 0.60020 0.88540 0.09690 1.00000 0.01229 O6A 0.09940 0.38000 0.52770 1.00000 0.01355 O6B 0.59340 0.85780 0.59640 1.00000 0.01355 O7A 0.09210 0.25000 0.29980 1.00000 0.01191 O7B 0.59050 0.75000 0.26130 1.00000 0.01051 H1 -0.05300 0.25000 0.75100 1.00000 0.04154 H2 0.56600 0.25000 0.24100 1.00000 0.02368 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 NaA 0.02856 0.06194 0.05534 0.00000 0.03204 0.00000 MgM1 0.00997 0.00652 0.00858 0.00000 0.00271 -0.00047 MgM2 0.00952 0.00652 0.00938 0.00000 0.00320 0.00093 MgM3 0.01043 0.00652 0.00710 0.00000 0.00271 0.00000 NaM4 0.01179 0.00978 0.01219 0.00086 0.00690 0.00234 MgM4 0.01179 0.00978 0.01219 0.00086 0.00690 0.00234 SiT1A 0.00771 0.00489 0.00697 0.00000 0.00173 0.00000 SiT1B 0.00771 0.00652 0.00630 0.00000 0.00222 0.00047 SiT2A 0.00771 0.00489 0.00710 -0.00086 0.00173 0.00000 SiT2B 0.00952 0.00815 0.00750 -0.00258 0.00148 0.00047 O1A 0.00771 0.00489 0.00925 0.00172 0.00271 -0.00093 O1B 0.00952 0.00652 0.00630 -0.00258 0.00246 0.00047 O2A 0.00861 0.01304 0.00817 0.00000 0.00246 -0.00140 O2B 0.00861 0.00815 0.01139 -0.00086 0.00345 -0.00093 O-h3A 0.00952 0.00815 0.00858 0.00000 0.00197 0.00000 O-h3B 0.00861 0.00652 0.01193 0.00000 0.00246 0.00000 O4A 0.02085 0.00815 0.01327 -0.00602 -0.00123 -0.00093 O4B 0.02720 0.01304 0.02131 -0.01633 -0.00838 0.00982 O5A 0.01133 0.01467 0.01233 0.00172 0.00370 0.00561 O5B 0.00997 0.01630 0.01139 0.00000 0.00271 0.00608 O6A 0.01133 0.01630 0.01233 0.00344 0.00148 -0.00841 O6B 0.00997 0.01793 0.01166 0.00086 0.00148 -0.00514 O7A 0.00771 0.00815 0.02090 0.00000 0.00394 0.00000 O7B 0.01043 0.00326 0.01863 0.00000 0.00518 0.00000