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: C60, 12BA, from Bloom Lake, Quebec, Canada in an iron formation after heating at 700 C ; _database_code_amcsd 0001994 _chemical_formula_sum 'Fe2.673 Mn.042 Mg2.405 Ca1.872 Na.096 Si7.928 Al.072 K.004 H1.886 O23.932 F.048 Cl.02' _cell_length_a 9.900 _cell_length_b 18.198 _cell_length_c 5.299 _cell_angle_alpha 90 _cell_angle_beta 104.63 _cell_angle_gamma 90 _cell_volume 923.716 _exptl_crystal_density_diffrn 3.230 _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 0.08860 0.50000 0.52200 Mn1 0.00000 0.08860 0.50000 0.00500 Mg1 0.00000 0.08860 0.50000 0.47300 Fe2 0.00000 0.17840 0.00000 0.53200 Mn2 0.00000 0.17840 0.00000 0.01500 Mg2 0.00000 0.17840 0.00000 0.45200 Fe3 0.00000 0.00000 0.00000 0.49500 Mg3 0.00000 0.00000 0.00000 0.50500 Fe4 0.00000 0.27690 0.50000 0.03500 Mn4 0.00000 0.27690 0.50000 0.00100 Mg4 0.00000 0.27690 0.50000 0.02500 Ca4 0.00000 0.27690 0.50000 0.93600 Na4 0.00000 0.27690 0.50000 0.00300 Si1 0.28000 0.08380 0.29380 0.98200 Al1 0.28000 0.08380 0.29380 0.01800 Si2 0.28900 0.17030 0.80140 1.00000 NaA(m) 0.03400 0.50000 0.09000 0.04500 KA(m) 0.03400 0.50000 0.09000 0.00200 H 0.20600 0.00000 0.76500 0.94300 O1 0.11200 0.08680 0.21490 1.00000 O2 0.12060 0.17260 0.72120 1.00000 O3 0.11070 0.00000 0.71420 0.96600 F3 0.11070 0.00000 0.71420 0.02400 Cl3 0.11070 0.00000 0.71420 0.01000 O4 0.36680 0.24610 0.79160 1.00000 O5 0.34530 0.13290 0.09430 1.00000 O6 0.34280 0.11860 0.58460 1.00000 O7 0.33460 0.00000 0.29200 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 0.00883 0.00671 0.00653 0.00000 0.00249 0.00000 Mn1 0.00883 0.00671 0.00653 0.00000 0.00249 0.00000 Mg1 0.00883 0.00671 0.00653 0.00000 0.00249 0.00000 Fe2 0.00790 0.00671 0.00759 0.00000 0.00249 0.00000 Mn2 0.00790 0.00671 0.00759 0.00000 0.00249 0.00000 Mg2 0.00790 0.00671 0.00759 0.00000 0.00249 0.00000 Fe3 0.00837 0.00671 0.00639 0.00000 0.00199 0.00000 Mg3 0.00837 0.00671 0.00639 0.00000 0.00199 0.00000 Fe4 0.01255 0.01342 0.01305 0.00000 0.00746 0.00000 Mn4 0.01255 0.01342 0.01305 0.00000 0.00746 0.00000 Mg4 0.01255 0.01342 0.01305 0.00000 0.00746 0.00000 Ca4 0.01255 0.01342 0.01305 0.00000 0.00746 0.00000 Na4 0.01255 0.01342 0.01305 0.00000 0.00746 0.00000 Si1 0.00651 0.00503 0.00639 -0.00088 0.00199 -0.00047 Al1 0.00651 0.00503 0.00639 -0.00088 0.00199 -0.00047 Si2 0.00744 0.00671 0.00626 -0.00088 0.00224 0.00000 O1 0.00651 0.00839 0.00972 -0.00088 0.00199 -0.00047 O2 0.00790 0.01007 0.00892 0.00000 0.00149 -0.00047 O3 0.01069 0.01174 0.01025 0.00000 0.00274 0.00000 F3 0.01069 0.01174 0.01025 0.00000 0.00274 0.00000 Cl3 0.01069 0.01174 0.01025 0.00000 0.00274 0.00000 O4 0.01348 0.01007 0.01159 -0.00442 0.00299 -0.00095 O5 0.00930 0.01174 0.00932 -0.00088 0.00274 0.00331 O6 0.00930 0.01342 0.00746 0.00000 0.00249 -0.00284 O7 0.01162 0.00503 0.01532 0.00000 0.00299 0.00000