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: Zaire ; _database_code_amcsd 0003816 _chemical_formula_sum 'Mg2.35 Fe1.26 Mn.04 Zn.01 Al1.34 Li1.98 Na.05 Si8 O23.91 F.09 H3.82' _cell_length_a 18.3345 _cell_length_b 17.6955 _cell_length_c 5.2764 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1711.865 _exptl_crystal_density_diffrn 3.081 _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 0.16000 0.39500 0.77500 0.00600 Fe1 0.12520 0.16000 0.39500 0.20000 0.00600 Mn1 0.12520 0.16000 0.39500 0.02000 0.00600 Zn1 0.12520 0.16000 0.39500 0.00500 0.00600 Al2 0.12540 0.06860 -0.10400 0.67000 0.00600 Fe3+2 0.12540 0.06860 -0.10400 0.30000 0.00600 Fe++2 0.12540 0.06860 -0.10400 0.03000 0.00600 Mg3 0.12530 0.25000 -0.10510 0.80000 0.00600 Fe3 0.12530 0.25000 -0.10510 0.20000 0.00600 Li4 0.12410 -0.00690 0.39790 0.99000 0.01700 Na4 0.12410 -0.00690 0.39790 0.01000 0.01700 NaA 0.37500 0.25000 0.50000 0.03000 ? Si1A 0.26980 0.16260 0.06760 1.00000 0.00600 Si1B -0.01920 0.16300 0.72460 1.00000 0.00600 Si2A 0.27330 0.07670 0.57260 1.00000 0.00600 Si2B -0.02400 0.07770 0.21770 1.00000 0.00600 O1A 0.18100 0.15820 0.05270 1.00000 0.00800 O1B 0.06950 0.15790 0.73760 1.00000 0.00800 O2A 0.18460 0.07640 0.58810 1.00000 0.00800 O2B 0.06510 0.07570 0.20350 1.00000 0.00800 O-H3A 0.18200 0.25000 0.55580 0.95500 0.00900 F3A 0.18200 0.25000 0.55580 0.04500 0.00900 O-H3B 0.06870 0.25000 0.23450 0.95500 0.00900 F3B 0.06870 0.25000 0.23450 0.04500 0.00900 O4A 0.31180 -0.00380 0.56470 1.00000 0.01000 O4B -0.06430 -0.00070 0.27030 1.00000 0.01000 O5A 0.30490 0.11570 -0.16590 1.00000 0.01000 O5B -0.05370 0.11360 0.95120 1.00000 0.00900 O6A 0.29750 0.12940 0.33450 1.00000 0.01100 O6B -0.04680 0.13400 0.45130 1.00000 0.01000 O7A 0.29480 0.25000 0.04550 1.00000 0.01100 O7B -0.04380 0.25000 0.75950 1.00000 0.01100 HA 0.23700 0.25000 0.56800 0.95500 ? HB 0.01500 0.25000 0.20700 0.95500 ?