data_global _chemical_name_mineral 'Ferro-actinolite' loop_ _publ_author_name 'Evans B W' 'Yang H' _journal_name_full 'American Mineralogist' _journal_volume 83 _journal_year 1998 _journal_page_first 458 _journal_page_last 475 _publ_section_title ; Fe-Mg order-disorder in tremolite-actinolite-ferro-actinolite at ambient and high temperature Sample: NMNH 168215, from Goose Creek Quarry, Leesburg, Virginia, in an alteration of hornblende ; _database_code_amcsd 0001999 _chemical_formula_sum 'Fe3.98 Mn.196 Mg.88 Ti.002 Ca1.97 Na.028 Si7.98 Al.02 K.044 H1.88 O24' _cell_length_a 9.977 _cell_length_b 18.287 _cell_length_c 5.308 _cell_angle_alpha 90 _cell_angle_beta 104.81 _cell_angle_gamma 90 _cell_volume 936.269 _exptl_crystal_density_diffrn 3.357 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe1 0.00000 0.08910 0.50000 0.84100 Mn1 0.00000 0.08910 0.50000 0.02600 Mg1 0.00000 0.08910 0.50000 0.15000 Fe2 0.00000 0.17910 0.00000 0.75400 Mn2 0.00000 0.17910 0.00000 0.06900 Mg2 0.00000 0.17910 0.00000 0.17600 Ti2 0.00000 0.17910 0.00000 0.00100 Fe3 0.00000 0.00000 0.00000 0.77200 Mg3 0.00000 0.00000 0.00000 0.22800 Fe4 0.00000 0.27790 0.50000 0.00900 Mn4 0.00000 0.27790 0.50000 0.00300 Ca4 0.00000 0.27790 0.50000 0.98500 Na4 0.00000 0.27790 0.50000 0.00300 Si1 0.27870 0.08360 0.29260 0.99500 Al1 0.27870 0.08360 0.29260 0.00500 Si2 0.28860 0.16990 0.80040 1.00000 NaA(m) 0.04400 0.50000 0.10200 0.01100 KA(m) 0.04400 0.50000 0.10200 0.02200 H 0.18600 0.00000 0.75600 0.94000 O1 0.11300 0.08730 0.21320 1.00000 O2 0.12180 0.17360 0.72050 1.00000 O3 0.11050 0.00000 0.71340 1.00000 O4 0.36690 0.24470 0.79210 1.00000 O5 0.34390 0.13200 0.09400 1.00000 O6 0.34240 0.11870 0.58330 1.00000 O7 0.33280 0.00000 0.29380 1.00000 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 Fe1 0.00990 0.00678 0.00334 0.00000 0.00301 0.00000 Mn1 0.00990 0.00678 0.00334 0.00000 0.00301 0.00000 Mg1 0.00990 0.00678 0.00334 0.00000 0.00301 0.00000 Fe2 0.00848 0.00678 0.00427 0.00000 0.00276 0.00000 Mn2 0.00848 0.00678 0.00427 0.00000 0.00276 0.00000 Mg2 0.00848 0.00678 0.00427 0.00000 0.00276 0.00000 Ti2 0.00848 0.00678 0.00427 0.00000 0.00276 0.00000 Fe3 0.00896 0.00508 0.00360 0.00000 0.00150 0.00000 Mg3 0.00896 0.00508 0.00360 0.00000 0.00150 0.00000 Fe4 0.01320 0.00847 0.01041 0.00000 0.00802 0.00000 Mn4 0.01320 0.00847 0.01041 0.00000 0.00802 0.00000 Ca4 0.01320 0.00847 0.01041 0.00000 0.00802 0.00000 Na4 0.01320 0.00847 0.01041 0.00000 0.00802 0.00000 Si1 0.00707 0.00508 0.00213 -0.00089 0.00226 0.00000 Al1 0.00707 0.00508 0.00213 -0.00089 0.00226 0.00000 Si2 0.00660 0.00678 0.00173 -0.00089 0.00150 0.00000 O1 0.00613 0.00847 0.00454 -0.00089 0.00276 0.00000 O2 0.00707 0.01016 0.00427 0.00089 0.00100 0.00095 O3 0.00754 0.01186 0.00947 0.00000 0.00125 0.00000 O4 0.01367 0.00847 0.00640 -0.00357 0.00677 -0.00190 O5 0.00848 0.01186 0.00480 -0.00089 0.00226 0.00285 O6 0.01037 0.01186 0.00160 0.00000 0.00226 -0.00380 O7 0.01037 0.00508 0.00934 0.00000 0.00226 0.00000