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: C28, 11B, from Luce Lake, Labrador, Canada in an iron formation after heating at 700 C ; _database_code_amcsd 0001991 _chemical_formula_sum 'Fe2.755 Mn.03 Mg2.395 Ca1.78 Na.076 Si7.98 Al.02 K.012 H1.88 O23.918 F.046 Cl.036' _cell_length_a 9.891 _cell_length_b 18.200 _cell_length_c 5.296 _cell_angle_alpha 90 _cell_angle_beta 104.55 _cell_angle_gamma 90 _cell_volume 922.790 _exptl_crystal_density_diffrn 3.234 _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 0.08850 0.50000 0.53400 Mn1 0.00000 0.08850 0.50000 0.00400 Mg1 0.00000 0.08850 0.50000 0.46200 Fe2 0.00000 0.17840 0.00000 0.53400 Mn2 0.00000 0.17840 0.00000 0.01000 Mg2 0.00000 0.17840 0.00000 0.45600 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 0.06800 Mn4 0.00000 0.27650 0.50000 0.00100 Mg4 0.00000 0.27650 0.50000 0.02100 Ca4 0.00000 0.27650 0.50000 0.89000 Na4 0.00000 0.27650 0.50000 0.02000 Si1 0.28010 0.08380 0.29340 0.99500 Al1 0.28010 0.08380 0.29340 0.00500 Si2 0.28910 0.17010 0.80090 1.00000 NaA(m) 0.05200 0.50000 0.06900 0.01800 KA(m) 0.05200 0.50000 0.06900 0.00600 H 0.19100 0.00000 0.75100 0.94000 O1 0.11210 0.08690 0.21430 1.00000 O2 0.12070 0.17250 0.72170 1.00000 O3 0.11090 0.00000 0.71350 0.95900 F3 0.11090 0.00000 0.71350 0.02300 Cl3 0.11090 0.00000 0.71350 0.01800 O4 0.36670 0.24610 0.79110 1.00000 O5 0.34550 0.13270 0.09400 1.00000 O6 0.34310 0.11840 0.58370 1.00000 O7 0.33490 0.00000 0.29140 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 0.00975 0.00503 0.00719 0.00000 0.00273 0.00000 Mn1 0.00975 0.00503 0.00719 0.00000 0.00273 0.00000 Mg1 0.00975 0.00503 0.00719 0.00000 0.00273 0.00000 Fe2 0.00836 0.00503 0.00785 0.00000 0.00249 0.00000 Mn2 0.00836 0.00503 0.00785 0.00000 0.00249 0.00000 Mg2 0.00836 0.00503 0.00785 0.00000 0.00249 0.00000 Fe3 0.00836 0.00503 0.00626 0.00000 0.00149 0.00000 Mg3 0.00836 0.00503 0.00626 0.00000 0.00149 0.00000 Fe4 0.01300 0.01342 0.01318 0.00000 0.00746 0.00000 Mn4 0.01300 0.01342 0.01318 0.00000 0.00746 0.00000 Mg4 0.01300 0.01342 0.01318 0.00000 0.00746 0.00000 Ca4 0.01300 0.01342 0.01318 0.00000 0.00746 0.00000 Na4 0.01300 0.01342 0.01318 0.00000 0.00746 0.00000 Si1 0.00743 0.00503 0.00586 0.00000 0.00149 0.00000 Al1 0.00743 0.00503 0.00586 0.00000 0.00149 0.00000 Si2 0.00743 0.00503 0.00586 -0.00088 0.00149 0.00000 O1 0.00697 0.00671 0.00958 -0.00088 0.00149 -0.00095 O2 0.00789 0.01007 0.00892 -0.00088 0.00124 0.00047 O3 0.01254 0.00839 0.00852 0.00000 0.00273 0.00000 F3 0.01254 0.00839 0.00852 0.00000 0.00273 0.00000 Cl3 0.01254 0.00839 0.00852 0.00000 0.00273 0.00000 O4 0.01393 0.00671 0.01145 -0.00353 0.00224 0.00000 O5 0.00975 0.01007 0.00892 -0.00088 0.00298 0.00284 O6 0.00929 0.01175 0.00745 0.00000 0.00224 -0.00331 O7 0.01207 0.00503 0.01544 0.00000 0.00323 0.00000