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: Siberia ; _database_code_amcsd 0003814 _chemical_formula_sum 'Mg1.89 Fe1.2 Mn.01 Al1.98 Li1.71 Na.03 Si7.98 O24 F.02 H3.96' _cell_length_a 18.277 _cell_length_b 17.646 _cell_length_c 5.2792 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1702.626 _exptl_crystal_density_diffrn 3.088 _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 0.12520 0.15890 0.39430 0.65500 0.00700 Fe1 0.12520 0.15890 0.39430 0.34000 0.00700 Mn1 0.12520 0.15890 0.39430 0.00500 0.00700 Al2 0.12530 0.06880 -0.10410 0.98000 0.00700 Fe2 0.12530 0.06880 -0.10410 0.02000 0.00700 Mg3 0.12530 0.25000 -0.10600 0.53000 0.00700 Fe3 0.12530 0.25000 -0.10600 0.47000 0.00700 Li4 0.12390 -0.00910 0.39860 0.85500 0.01800 Mg4 0.12390 -0.00910 0.39860 0.02500 0.01800 Na4 0.12390 -0.00910 0.39860 0.01500 0.01800 Fe4 0.12390 -0.00910 0.39860 0.00500 0.01800 Si1A 0.26960 0.16190 0.06740 0.99500 0.00600 Al1A 0.26960 0.16190 0.06740 0.00500 0.00600 Si1B -0.01910 0.16240 0.72310 0.99500 0.00600 Al1B -0.01910 0.16240 0.72310 0.00500 0.00600 Si2A 0.27350 0.07590 0.57360 1.00000 0.00600 Si2B -0.02420 0.07700 0.21440 1.00000 0.00600 O1A 0.18060 0.15610 0.04990 1.00000 0.00700 O1B 0.06980 0.15600 0.73850 1.00000 0.00700 O2A 0.18440 0.07530 0.59270 1.00000 0.00800 O2B 0.06520 0.07480 0.19730 1.00000 0.00800 O-H3A 0.18220 0.25000 0.55300 0.99000 0.00900 F3A 0.18220 0.25000 0.55300 0.01000 0.00900 O-H3B 0.06890 0.25000 0.23500 0.99000 0.00900 F3B 0.06890 0.25000 0.23500 0.01000 0.00900 O4A 0.31260 -0.00420 0.56180 1.00000 0.01000 O4B -0.06490 -0.00140 0.26800 1.00000 0.00900 O5A 0.30560 0.11470 -0.16460 1.00000 0.00900 O5B -0.05430 0.11350 0.94880 1.00000 0.00900 O6A 0.29670 0.13000 0.33710 1.00000 0.01000 O6B -0.04630 0.13300 0.44870 1.00000 0.01100 O7A 0.29310 0.25000 0.04200 1.00000 0.01000 O7B -0.04300 0.25000 0.75610 1.00000 0.01100 HA 0.23300 0.25000 0.54460 0.99000 ? HB 0.02210 0.25000 0.22060 0.99000 ?