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: 12BA, from Bloom Lake, Quebec, Canada in an iron formation ; _database_code_amcsd 0001993 _chemical_formula_sum 'Fe2.711 Mn.04 Mg2.395 Ti.002 Ca1.824 Na.12 Si7.92 Al.08 K.016 H1.88 O24' _cell_length_a 9.886 _cell_length_b 18.171 _cell_length_c 5.297 _cell_angle_alpha 90 _cell_angle_beta 104.61 _cell_angle_gamma 90 _cell_volume 920.777 _exptl_crystal_density_diffrn 3.242 _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 0.55300 Mn1 0.00000 0.08860 0.50000 0.00600 Mg1 0.00000 0.08860 0.50000 0.44100 Fe2 0.00000 0.17840 0.00000 0.48800 Mn2 0.00000 0.17840 0.00000 0.01200 Mg2 0.00000 0.17840 0.00000 0.49900 Ti2 0.00000 0.17840 0.00000 0.00100 Fe3 0.00000 0.00000 0.00000 0.51500 Mg3 0.00000 0.00000 0.00000 0.48500 Fe4 0.00000 0.27670 0.50000 0.05700 Mn4 0.00000 0.27670 0.50000 0.00200 Mg4 0.00000 0.27670 0.50000 0.01500 Ca4 0.00000 0.27670 0.50000 0.91200 Na4 0.00000 0.27670 0.50000 0.01400 Si1 0.28010 0.08390 0.29410 0.98000 Al1 0.28010 0.08390 0.29410 0.02000 Si2 0.28910 0.17040 0.80150 1.00000 NaA(m) 0.05900 0.50000 0.05200 0.04600 KA(m) 0.05900 0.50000 0.05200 0.00800 H 0.20500 0.00000 0.73600 0.94000 O1 0.11200 0.08690 0.21370 1.00000 O2 0.12050 0.17280 0.72210 1.00000 O3 0.11110 0.00000 0.71360 1.00000 O4 0.36690 0.24620 0.79170 1.00000 O5 0.34510 0.13280 0.09360 1.00000 O6 0.34260 0.11870 0.58450 1.00000 O7 0.33470 0.00000 0.29120 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 0.01020 0.00669 0.00732 0.00000 0.00323 0.00000 Mn1 0.01020 0.00669 0.00732 0.00000 0.00323 0.00000 Mg1 0.01020 0.00669 0.00732 0.00000 0.00323 0.00000 Fe2 0.00881 0.00669 0.00759 0.00000 0.00224 0.00000 Mn2 0.00881 0.00669 0.00759 0.00000 0.00224 0.00000 Mg2 0.00881 0.00669 0.00759 0.00000 0.00224 0.00000 Ti2 0.00881 0.00669 0.00759 0.00000 0.00224 0.00000 Fe3 0.00974 0.00669 0.00612 0.00000 0.00248 0.00000 Mg3 0.00974 0.00669 0.00612 0.00000 0.00248 0.00000 Fe4 0.01391 0.01505 0.01358 0.00000 0.00720 0.00000 Mn4 0.01391 0.01505 0.01358 0.00000 0.00720 0.00000 Mg4 0.01391 0.01505 0.01358 0.00000 0.00720 0.00000 Ca4 0.01391 0.01505 0.01358 0.00000 0.00720 0.00000 Na4 0.01391 0.01505 0.01358 0.00000 0.00720 0.00000 Si1 0.00742 0.00669 0.00639 -0.00088 0.00199 -0.00047 Al1 0.00742 0.00669 0.00639 -0.00088 0.00199 -0.00047 Si2 0.00835 0.00669 0.00639 -0.00176 0.00273 0.00000 O1 0.00788 0.00836 0.00985 0.00000 0.00298 0.00000 O2 0.00835 0.01004 0.00892 -0.00176 0.00099 -0.00047 O3 0.01020 0.01171 0.00918 0.00000 0.00248 0.00000 O4 0.01530 0.00836 0.01264 -0.00440 0.00397 0.00000 O5 0.01159 0.01171 0.00839 -0.00088 0.00348 0.00236 O6 0.01066 0.01171 0.00799 0.00000 0.00224 -0.00236 O7 0.01391 0.00669 0.01704 0.00000 0.00621 0.00000