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: C51, ID4-4C, from Isua Belt, East Greenland, in an iron formation after heating at 700 C ; _database_code_amcsd 0001998 _chemical_formula_sum 'Fe3.17 Mn.092 Mg1.906 Ca1.814 Na.038 Si7.972 Al.028 K.004 H1.872 O23.926 F.048 Cl.026' _cell_length_a 9.903 _cell_length_b 18.211 _cell_length_c 5.299 _cell_angle_alpha 90 _cell_angle_beta 104.64 _cell_angle_gamma 90 _cell_volume 924.614 _exptl_crystal_density_diffrn 3.281 _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 0.08870 0.50000 0.61000 Mn1 0.00000 0.08870 0.50000 0.01100 Mg1 0.00000 0.08870 0.50000 0.37900 Fe2 0.00000 0.17850 0.00000 0.61200 Mn2 0.00000 0.17850 0.00000 0.03100 Mg2 0.00000 0.17850 0.00000 0.35700 Fe3 0.00000 0.00000 0.00000 0.59000 Mg3 0.00000 0.00000 0.00000 0.41000 Fe4 0.00000 0.27660 0.50000 0.06800 Mn4 0.00000 0.27660 0.50000 0.00400 Mg4 0.00000 0.27660 0.50000 0.01200 Ca4 0.00000 0.27660 0.50000 0.90700 Na4 0.00000 0.27660 0.50000 0.00900 Si1 0.27990 0.08380 0.29300 0.99300 Al1 0.27990 0.08380 0.29300 0.00700 Si2 0.28910 0.17000 0.80070 1.00000 NaA(m) 0.03500 0.50000 0.04000 0.01000 KA(m) 0.03500 0.50000 0.04000 0.00200 H 0.19400 0.00000 0.76500 0.93600 O1 0.11220 0.08690 0.21440 1.00000 O2 0.12110 0.17280 0.72070 1.00000 O3 0.11110 0.00000 0.71280 0.96300 F3 0.11110 0.00000 0.71280 0.02400 Cl3 0.11110 0.00000 0.71280 0.01300 O4 0.36690 0.24570 0.79060 1.00000 O5 0.34490 0.13260 0.09280 1.00000 O6 0.34290 0.11840 0.58360 1.00000 O7 0.33440 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 0.01023 0.00504 0.00692 0.00000 0.00299 0.00000 Mn1 0.01023 0.00504 0.00692 0.00000 0.00299 0.00000 Mg1 0.01023 0.00504 0.00692 0.00000 0.00299 0.00000 Fe2 0.00930 0.00504 0.00772 0.00000 0.00324 0.00000 Mn2 0.00930 0.00504 0.00772 0.00000 0.00324 0.00000 Mg2 0.00930 0.00504 0.00772 0.00000 0.00324 0.00000 Fe3 0.00977 0.00504 0.00666 0.00000 0.00224 0.00000 Mg3 0.00977 0.00504 0.00666 0.00000 0.00224 0.00000 Fe4 0.01349 0.01344 0.01358 0.00000 0.00821 0.00000 Mn4 0.01349 0.01344 0.01358 0.00000 0.00821 0.00000 Mg4 0.01349 0.01344 0.01358 0.00000 0.00821 0.00000 Ca4 0.01349 0.01344 0.01358 0.00000 0.00821 0.00000 Na4 0.01349 0.01344 0.01358 0.00000 0.00821 0.00000 Si1 0.00791 0.00504 0.00626 0.00000 0.00249 -0.00047 Al1 0.00791 0.00504 0.00626 0.00000 0.00249 -0.00047 Si2 0.00837 0.00504 0.00613 -0.00088 0.00224 0.00000 O1 0.00884 0.00672 0.00852 -0.00088 0.00274 0.00000 O2 0.00884 0.00840 0.01039 0.00000 0.00299 -0.00047 O3 0.01116 0.00840 0.00999 0.00000 0.00348 0.00000 F3 0.01116 0.00840 0.00999 0.00000 0.00348 0.00000 Cl3 0.01116 0.00840 0.00999 0.00000 0.00348 0.00000 O4 0.01442 0.00672 0.01212 -0.00354 0.00398 0.00000 O5 0.01023 0.01176 0.00812 0.00000 0.00274 0.00284 O6 0.01023 0.01176 0.00719 -0.00088 0.00174 -0.00331 O7 0.01070 0.00504 0.01598 0.00000 0.00348 0.00000