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: C80, NMNH 168215, from Goose Creek Quarry, Leesburg, Virginia, in an alteration of hornblende, after heating at 700 C ; _database_code_amcsd 0002000 _chemical_formula_sum 'Fe4.104 Mn.18 Mg.742 Ti.004 Ca1.952 Na.024 Si7.98 Al.02 K.048 H1.868 O24 F.01 Cl.006' _cell_length_a 9.986 _cell_length_b 18.296 _cell_length_c 5.306 _cell_angle_alpha 90 _cell_angle_beta 104.79 _cell_angle_gamma 90 _cell_volume 937.308 _exptl_crystal_density_diffrn 3.361 _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 0.82700 Mn1 0.00000 0.08910 0.50000 0.02300 Mg1 0.00000 0.08910 0.50000 0.15000 Fe2 0.00000 0.17920 0.00000 0.79200 Mn2 0.00000 0.17920 0.00000 0.06400 Mg2 0.00000 0.17920 0.00000 0.14200 Ti2 0.00000 0.17920 0.00000 0.00200 Fe3 0.00000 0.00000 0.00000 0.84200 Mg3 0.00000 0.00000 0.00000 0.15800 Fe4 0.00000 0.27790 0.50000 0.01200 Mn4 0.00000 0.27790 0.50000 0.00300 Ca4 0.00000 0.27790 0.50000 0.97600 Na4 0.00000 0.27790 0.50000 0.00900 Si1 0.27890 0.08360 0.29270 0.99500 Al1 0.27890 0.08360 0.29270 0.00500 Si2 0.28880 0.16970 0.80070 1.00000 NaA(m) 0.02200 0.50000 0.04700 0.00300 KA(m) 0.02200 0.50000 0.04700 0.02400 H 0.17700 0.00000 0.76000 0.93400 O1 0.11290 0.08740 0.21450 1.00000 O2 0.12170 0.17350 0.72030 1.00000 O3 0.11060 0.00000 0.71200 0.99200 F3 0.11060 0.00000 0.71200 0.00500 Cl3 0.11060 0.00000 0.71200 0.00300 O4 0.36710 0.24470 0.79140 1.00000 O5 0.34380 0.13190 0.09410 1.00000 O6 0.34240 0.11860 0.58330 1.00000 O7 0.33250 0.00000 0.29330 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 0.00661 0.01017 0.00333 0.00000 0.00151 0.00000 Mn1 0.00661 0.01017 0.00333 0.00000 0.00151 0.00000 Mg1 0.00661 0.01017 0.00333 0.00000 0.00151 0.00000 Fe2 0.00519 0.00848 0.00347 0.00000 0.00125 0.00000 Mn2 0.00519 0.00848 0.00347 0.00000 0.00125 0.00000 Mg2 0.00519 0.00848 0.00347 0.00000 0.00125 0.00000 Ti2 0.00519 0.00848 0.00347 0.00000 0.00125 0.00000 Fe3 0.00708 0.00678 0.00347 0.00000 0.00075 0.00000 Mg3 0.00708 0.00678 0.00347 0.00000 0.00075 0.00000 Fe4 0.01086 0.01187 0.01000 0.00000 0.00577 0.00000 Mn4 0.01086 0.01187 0.01000 0.00000 0.00577 0.00000 Ca4 0.01086 0.01187 0.01000 0.00000 0.00577 0.00000 Na4 0.01086 0.01187 0.01000 0.00000 0.00577 0.00000 Si1 0.00425 0.00848 0.00120 -0.00089 0.00050 -0.00048 Al1 0.00425 0.00848 0.00120 -0.00089 0.00050 -0.00048 Si2 0.00425 0.00848 0.00160 -0.00089 0.00025 0.00000 O1 0.00472 0.01357 0.00160 -0.00089 0.00050 -0.00095 O2 0.00472 0.01357 0.00373 -0.00089 0.00050 -0.00095 O3 0.00661 0.01357 0.00920 0.00000 0.00151 0.00000 F3 0.00661 0.01357 0.00920 0.00000 0.00151 0.00000 Cl3 0.00661 0.01357 0.00920 0.00000 0.00151 0.00000 O4 0.00945 0.01187 0.00507 -0.00268 0.00351 0.00000 O5 0.00661 0.01526 0.00387 -0.00089 0.00100 0.00285 O6 0.00614 0.01696 0.00307 0.00089 -0.00075 -0.00238 O7 0.00425 0.01017 0.00893 0.00000 0.00100 0.00000