data_global _chemical_name_mineral 'Holmquistite' loop_ _publ_author_name 'Camara F' 'Oberti R' _journal_name_full 'American Mineralogist' _journal_volume 90 _journal_year 2005 _journal_page_first 1167 _journal_page_last 1176 _publ_section_title ; The crystal-chemistry of holmquistites: Ferroholmquistite from Greenbushes (Western Australia) and hints for compositional constraints in B-Li amphiboles Sample: Norway ; _database_code_amcsd 0003818 _chemical_formula_sum 'Mg2.42 Fe1.26 Mn.04 Al1.33 Zn.01 Li1.93 Na.05 Si8 O23.9 F.1 H3.8' _cell_length_a 18.336 _cell_length_b 17.693 _cell_length_c 5.2755 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1711.472 _exptl_crystal_density_diffrn 3.086 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+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 Mg1 0.12530 0.16010 0.39520 0.76500 0.00600 Fe1 0.12530 0.16010 0.39520 0.21500 0.00600 Mn1 0.12530 0.16010 0.39520 0.02000 0.00600 Al2 0.12530 0.06860 -0.10400 0.66500 0.00500 Fe3+2 0.12530 0.06860 -0.10400 0.27000 0.00500 Fe++2 0.12530 0.06860 -0.10400 0.05500 0.00500 Mg2 0.12530 0.06860 -0.10400 0.00500 0.00500 Zn2 0.12530 0.06860 -0.10400 0.00500 0.00500 Mg3 0.12520 0.25000 -0.10530 0.82000 0.00600 Fe3 0.12520 0.25000 -0.10530 0.18000 0.00600 Li4 0.12350 -0.00750 0.39620 0.96500 0.01700 Mg4 0.12350 -0.00750 0.39620 0.03000 0.01700 Na4 0.12350 -0.00750 0.39620 0.00500 0.01700 NaA 0.37500 0.25000 0.50000 0.04000 ? Si1A 0.26980 0.16260 0.06750 1.00000 0.00500 Si1B -0.01920 0.16290 0.72430 1.00000 0.00500 Si2A 0.27330 0.07670 0.57250 1.00000 0.00500 Si2B -0.02410 0.07770 0.21740 1.00000 0.00500 O1A 0.18110 0.15830 0.05250 1.00000 0.00700 O1B 0.06960 0.15780 0.73770 1.00000 0.00600 O2A 0.18450 0.07640 0.58780 1.00000 0.00600 O2B 0.06500 0.07580 0.20220 1.00000 0.00700 O-H3A 0.18220 0.25000 0.55570 0.95000 0.01000 F3A 0.18220 0.25000 0.55570 0.05000 0.01000 O-H3B 0.06880 0.25000 0.23370 0.95000 0.00900 F3B 0.06880 0.25000 0.23370 0.05000 0.00900 O4A 0.31170 -0.00380 0.56360 1.00000 0.00800 O4B -0.06450 -0.00070 0.26970 1.00000 0.00900 O5A 0.30480 0.11580 -0.16570 1.00000 0.00800 O5B -0.05370 0.11340 0.95170 1.00000 0.00800 O6A 0.29740 0.12950 0.33420 1.00000 0.00900 O6B -0.04660 0.13370 0.45170 1.00000 0.00900 O7A 0.29460 0.25000 0.04550 1.00000 0.01100 O7B -0.04400 0.25000 0.75970 1.00000 0.00900 HA 0.23460 0.25000 0.54810 0.95000 ? HB 0.01880 0.25000 0.25670 0.95000 ?