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: HS 119915 Siberia ; _database_code_amcsd 0003813 _chemical_formula_sum 'Mg1.8 Fe1.23 Mn.02 Al1.97 Zn.01 Li1.98 Na.03 Si7.99 O23.97 F.03 H3.94' _cell_length_a 18.277 _cell_length_b 17.650 _cell_length_c 5.2736 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1701.206 _exptl_crystal_density_diffrn 3.101 _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 0.39470 0.63000 0.00700 Fe1 0.12520 0.15890 0.39470 0.36000 0.00700 Mn1 0.12520 0.15890 0.39470 0.01000 0.00700 Al2 0.12540 0.06870 -0.10390 0.98000 0.00500 Fe2 0.12540 0.06870 -0.10390 0.01500 0.00500 Zn2 0.12540 0.06870 -0.10390 0.00500 0.00500 Mg3 0.12530 0.25000 -0.10550 0.54000 0.00600 Fe3 0.12530 0.25000 -0.10550 0.46000 0.00600 Li4 0.12270 -0.00860 0.39540 0.99000 0.02000 Fe4 0.12270 -0.00860 0.39540 0.01000 0.02000 NaA 0.37500 0.25000 0.50000 0.03000 ? Si1A 0.26950 0.16200 0.06730 0.99750 0.00400 Al1A 0.26950 0.16200 0.06730 0.00250 0.00400 Si1B -0.01880 0.16240 0.72320 0.99750 0.00500 Al1B -0.01880 0.16240 0.72320 0.00250 0.00500 Si2A 0.27360 0.07590 0.57330 1.00000 0.00400 Si2B -0.02420 0.07700 0.21450 1.00000 0.00500 O1A 0.18040 0.15630 0.04940 1.00000 0.00600 O1B 0.07010 0.15560 0.73960 1.00000 0.00700 O2A 0.18440 0.07530 0.59310 1.00000 0.00600 O2B 0.06520 0.07460 0.19680 1.00000 0.00600 O-H3A 0.18240 0.25000 0.55420 0.98500 0.00800 F3A 0.18240 0.25000 0.55420 0.01500 0.00800 O-H3B 0.06850 0.25000 0.23550 0.98500 0.00800 F3B 0.06850 0.25000 0.23550 0.01500 0.00800 O4A 0.31270 -0.00450 0.56160 1.00000 0.00700 O4B -0.06490 -0.00120 0.26730 1.00000 0.00800 O5A 0.30560 0.11470 -0.16460 1.00000 0.00800 O5B -0.05460 0.11360 0.94940 1.00000 0.00800 O6A 0.29670 0.12960 0.33590 1.00000 0.00800 O6B -0.04640 0.13340 0.44910 1.00000 0.00800 O7A 0.29330 0.25000 0.04250 1.00000 0.00900 O7B -0.04260 0.25000 0.75650 1.00000 0.01000 HA 0.23120 0.25000 0.55630 0.98500 ? HB 0.00730 0.25000 0.23070 0.98500 ?