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: C41, 11B, from Luce Lake, Labrador, Canada in an iron formation after heating at 800 C ; _database_code_amcsd 0001992 _chemical_formula_sum 'Fe2.757 Mn.026 Mg2.385 Al.016 Ca1.782 Na.074 Si7.988 K.004 H1.876 O23.912 F.048 Cl.04' _cell_length_a 9.890 _cell_length_b 18.192 _cell_length_c 5.294 _cell_angle_alpha 90 _cell_angle_beta 104.53 _cell_angle_gamma 90 _cell_volume 922.026 _exptl_crystal_density_diffrn 3.235 _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 0.53600 Mn1 0.00000 0.08860 0.50000 0.00300 Mg1 0.00000 0.08860 0.50000 0.46100 Fe2 0.00000 0.17840 0.00000 0.53400 Mn2 0.00000 0.17840 0.00000 0.00900 Mg2 0.00000 0.17840 0.00000 0.45500 Al2 0.00000 0.17840 0.00000 0.00200 Fe3 0.00000 0.00000 0.00000 0.48300 Mg3 0.00000 0.00000 0.00000 0.51700 Fe4 0.00000 0.27650 0.50000 0.06700 Mn4 0.00000 0.27650 0.50000 0.00100 Mg4 0.00000 0.27650 0.50000 0.01800 Ca4 0.00000 0.27650 0.50000 0.89100 Na4 0.00000 0.27650 0.50000 0.02300 Si1 0.28000 0.08380 0.29310 0.99700 Al1 0.28000 0.08380 0.29310 0.00300 Si2 0.28920 0.17010 0.80090 1.00000 NaA(m) 0.03300 0.50000 0.06700 0.01400 KA(m) 0.03300 0.50000 0.06700 0.00200 H 0.19800 0.00000 0.76900 0.93800 O1 0.11210 0.08690 0.21440 1.00000 O2 0.12070 0.17260 0.72130 1.00000 O3 0.11080 0.00000 0.71340 0.95600 F3 0.11080 0.00000 0.71340 0.02400 Cl3 0.11080 0.00000 0.71340 0.02000 O4 0.36670 0.24620 0.79080 1.00000 O5 0.34530 0.13270 0.09380 1.00000 O6 0.34290 0.11840 0.58350 1.00000 O7 0.33500 0.00000 0.29070 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 0.00882 0.00503 0.00705 0.00000 0.00249 0.00000 Mn1 0.00882 0.00503 0.00705 0.00000 0.00249 0.00000 Mg1 0.00882 0.00503 0.00705 0.00000 0.00249 0.00000 Fe2 0.00743 0.00503 0.00732 0.00000 0.00224 0.00000 Mn2 0.00743 0.00503 0.00732 0.00000 0.00224 0.00000 Mg2 0.00743 0.00503 0.00732 0.00000 0.00224 0.00000 Al2 0.00743 0.00503 0.00732 0.00000 0.00224 0.00000 Fe3 0.00743 0.00335 0.00599 0.00000 0.00124 0.00000 Mg3 0.00743 0.00335 0.00599 0.00000 0.00124 0.00000 Fe4 0.01161 0.01341 0.01237 0.00000 0.00721 0.00000 Mn4 0.01161 0.01341 0.01237 0.00000 0.00721 0.00000 Mg4 0.01161 0.01341 0.01237 0.00000 0.00721 0.00000 Ca4 0.01161 0.01341 0.01237 0.00000 0.00721 0.00000 Na4 0.01161 0.01341 0.01237 0.00000 0.00721 0.00000 Si1 0.00604 0.00503 0.00559 0.00000 0.00124 0.00000 Al1 0.00604 0.00503 0.00559 0.00000 0.00124 0.00000 Si2 0.00650 0.00503 0.00572 -0.00088 0.00124 0.00000 O1 0.00650 0.00671 0.00878 -0.00088 0.00199 0.00047 O2 0.00743 0.00838 0.00865 0.00000 0.00124 -0.00047 O3 0.01114 0.01006 0.00958 0.00000 0.00348 0.00000 F3 0.01114 0.01006 0.00958 0.00000 0.00348 0.00000 Cl3 0.01114 0.01006 0.00958 0.00000 0.00348 0.00000 O4 0.01254 0.00838 0.01091 -0.00441 0.00249 -0.00047 O5 0.00836 0.01174 0.00732 0.00000 0.00124 0.00378 O6 0.00836 0.01341 0.00652 0.00000 0.00124 -0.00331 O7 0.01022 0.00503 0.01543 0.00000 0.00249 0.00000