data_global _chemical_name_mineral '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: ID4-4C, from Isua Belt, East Greenland, in an iron formation ; _database_code_amcsd 0001997 _chemical_formula_sum 'Fe3.112 Mn.088 Mg1.954 Al.024 Ti.002 Ca1.814 Na.018 Si7.988 H1.86 O23.96 F.01 Cl.03' _cell_length_a 9.908 _cell_length_b 18.218 _cell_length_c 5.301 _cell_angle_alpha 90 _cell_angle_beta 104.59 _cell_angle_gamma 90 _cell_volume 925.996 _exptl_crystal_density_diffrn 3.267 _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 0.08880 0.50000 0.63100 Mn1 0.00000 0.08880 0.50000 0.01200 Mg1 0.00000 0.08880 0.50000 0.35700 Fe2 0.00000 0.17860 0.00000 0.55600 Mn2 0.00000 0.17860 0.00000 0.02800 Mg2 0.00000 0.17860 0.00000 0.40900 Al2 0.00000 0.17860 0.00000 0.00600 Ti2 0.00000 0.17860 0.00000 0.00100 Fe3 0.00000 0.00000 0.00000 0.59200 Mg3 0.00000 0.00000 0.00000 0.40800 Fe4 0.00000 0.27660 0.50000 0.07300 Mn4 0.00000 0.27660 0.50000 0.00400 Mg4 0.00000 0.27660 0.50000 0.00700 Ca4 0.00000 0.27660 0.50000 0.90700 Na4 0.00000 0.27660 0.50000 0.00900 Si1 0.27970 0.08380 0.29270 0.99700 Al1 0.27970 0.08380 0.29270 0.00300 Si2 0.28920 0.17020 0.80050 1.00000 H 0.20100 0.00000 0.73900 0.93000 O1 0.11300 0.08740 0.21430 1.00000 O2 0.12110 0.17320 0.72240 1.00000 O3 0.11130 0.00000 0.71340 0.98000 F3 0.11130 0.00000 0.71340 0.00500 Cl3 0.11130 0.00000 0.71340 0.01500 O4 0.36740 0.24580 0.79090 1.00000 O5 0.34510 0.13250 0.09470 1.00000 O6 0.34290 0.11860 0.58330 1.00000 O7 0.33380 0.00000 0.29130 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 0.01118 0.00504 0.00373 0.00000 0.00249 0.00000 Mn1 0.01118 0.00504 0.00373 0.00000 0.00249 0.00000 Mg1 0.01118 0.00504 0.00373 0.00000 0.00249 0.00000 Fe2 0.00792 0.00504 0.00533 0.00000 0.00125 0.00000 Mn2 0.00792 0.00504 0.00533 0.00000 0.00125 0.00000 Mg2 0.00792 0.00504 0.00533 0.00000 0.00125 0.00000 Al2 0.00792 0.00504 0.00533 0.00000 0.00125 0.00000 Ti2 0.00792 0.00504 0.00533 0.00000 0.00125 0.00000 Fe3 0.00792 0.00504 0.00467 0.00000 0.00125 0.00000 Mg3 0.00792 0.00504 0.00467 0.00000 0.00125 0.00000 Fe4 0.01304 0.01345 0.00947 0.00000 0.00673 0.00000 Mn4 0.01304 0.01345 0.00947 0.00000 0.00673 0.00000 Mg4 0.01304 0.01345 0.00947 0.00000 0.00673 0.00000 Ca4 0.01304 0.01345 0.00947 0.00000 0.00673 0.00000 Na4 0.01304 0.01345 0.00947 0.00000 0.00673 0.00000 Si1 0.00699 0.00336 0.00347 -0.00088 0.00025 -0.00047 Al1 0.00699 0.00336 0.00347 -0.00088 0.00025 -0.00047 Si2 0.00699 0.00504 0.00280 0.00000 0.00100 0.00047 O1 0.00699 0.00841 0.00240 -0.00088 -0.00075 0.00047 O2 0.00838 0.00841 0.00587 -0.00088 0.00050 0.00000 O3 0.01071 0.01009 0.00933 0.00000 0.00199 0.00000 F3 0.01071 0.01009 0.00933 0.00000 0.00199 0.00000 Cl3 0.01071 0.01009 0.00933 0.00000 0.00199 0.00000 O4 0.01444 0.00504 0.00840 -0.00354 0.00324 -0.00095 O5 0.00932 0.01009 0.00493 0.00088 0.00174 0.00331 O6 0.01071 0.01009 0.00547 0.00088 0.00299 -0.00189 O7 0.01025 0.00168 0.01120 0.00000 0.00199 0.00000