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: 11B, from Luce Lake, Labrador, Canada in an iron formation ; _database_code_amcsd 0001989 _chemical_formula_sum 'Fe2.762 Mn.024 Mg2.336 Al.008 Ca1.838 Na.036 Si8 H1.854 O23.926 F.038 Cl.036' _cell_length_a 9.891 _cell_length_b 18.190 _cell_length_c 5.297 _cell_angle_alpha 90 _cell_angle_beta 104.54 _cell_angle_gamma 90 _cell_volume 922.499 _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 0.08880 0.50000 0.56400 Mn1 0.00000 0.08880 0.50000 0.00300 Mg1 0.00000 0.08880 0.50000 0.43300 Fe2 0.00000 0.17850 0.00000 0.50000 Mn2 0.00000 0.17850 0.00000 0.00800 Mg2 0.00000 0.17850 0.00000 0.49000 Al2 0.00000 0.17850 0.00000 0.00200 Fe3 0.00000 0.00000 0.00000 0.51000 Mg3 0.00000 0.00000 0.00000 0.49000 Fe4 0.00000 0.27670 0.50000 0.06200 Mn4 0.00000 0.27670 0.50000 0.00100 Ca4 0.00000 0.27670 0.50000 0.91900 Na4 0.00000 0.27670 0.50000 0.01800 Si1 0.27970 0.08390 0.29360 0.99900 Al1 0.27970 0.08390 0.29360 0.00100 Si2 0.28910 0.17020 0.80130 1.00000 H 0.19100 0.00000 0.73600 0.92700 O1 0.11250 0.08720 0.21440 1.00000 O2 0.12120 0.17280 0.72290 1.00000 O3 0.11170 0.00000 0.71480 0.96300 F3 0.11170 0.00000 0.71480 0.01900 Cl3 0.11170 0.00000 0.71480 0.01800 O4 0.36730 0.24580 0.79120 1.00000 O5 0.34520 0.13240 0.09350 1.00000 O6 0.34270 0.11860 0.58350 1.00000 O7 0.33490 0.00000 0.29170 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 0.01022 0.00503 0.00666 0.00000 0.00298 0.00000 Mn1 0.01022 0.00503 0.00666 0.00000 0.00298 0.00000 Mg1 0.01022 0.00503 0.00666 0.00000 0.00298 0.00000 Fe2 0.00975 0.00503 0.00626 0.00000 0.00199 0.00000 Mn2 0.00975 0.00503 0.00626 0.00000 0.00199 0.00000 Mg2 0.00975 0.00503 0.00626 0.00000 0.00199 0.00000 Al2 0.00975 0.00503 0.00626 0.00000 0.00199 0.00000 Fe3 0.00882 0.00168 0.00519 0.00000 0.00149 0.00000 Mg3 0.00882 0.00168 0.00519 0.00000 0.00149 0.00000 Fe4 0.01347 0.01173 0.01252 0.00000 0.00746 0.00000 Mn4 0.01347 0.01173 0.01252 0.00000 0.00746 0.00000 Ca4 0.01347 0.01173 0.01252 0.00000 0.00746 0.00000 Na4 0.01347 0.01173 0.01252 0.00000 0.00746 0.00000 Si1 0.00697 0.00335 0.00546 -0.00088 0.00149 0.00000 Al1 0.00697 0.00335 0.00546 -0.00088 0.00149 0.00000 Si2 0.00743 0.00335 0.00546 -0.00088 0.00149 0.00000 O1 0.00697 0.00503 0.00772 0.00000 0.00025 0.00000 O2 0.00882 0.00670 0.00613 0.00000 0.00050 0.00094 O3 0.01022 0.01006 0.01159 0.00000 0.00298 0.00000 F3 0.01022 0.01006 0.01159 0.00000 0.00298 0.00000 Cl3 0.01022 0.01006 0.01159 0.00000 0.00298 0.00000 O4 0.01300 0.00503 0.01185 -0.00353 0.00323 0.00000 O5 0.01115 0.00670 0.00772 0.00000 0.00124 0.00378 O6 0.01022 0.00838 0.00613 0.00088 0.00149 -0.00283 O7 0.01486 0.00168 0.01518 0.00000 0.00522 0.00000