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: C59, AMNH 44973, from Cumberland, Rhode Island in a quartzite after heating at 700 C ; _database_code_amcsd 0001996 _chemical_formula_sum 'Fe2.823 Mn.336 Mg1.979 Al.282 Ti.006 Ca1.736 Na.176 Si7.792 K.024 H1.894 O23.952 F.048' _cell_length_a 9.890 _cell_length_b 18.194 _cell_length_c 5.306 _cell_angle_alpha 90 _cell_angle_beta 104.62 _cell_angle_gamma 90 _cell_volume 923.841 _exptl_crystal_density_diffrn 3.277 _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 0.55700 Mn1 0.00000 0.08880 0.50000 0.04100 Mg1 0.00000 0.08880 0.50000 0.40200 Fe2 0.00000 0.17840 0.00000 0.51600 Mn2 0.00000 0.17840 0.00000 0.11000 Mg2 0.00000 0.17840 0.00000 0.33500 Al2 0.00000 0.17840 0.00000 0.03700 Ti2 0.00000 0.17840 0.00000 0.00300 Fe3 0.00000 0.00000 0.00000 0.54100 Mg3 0.00000 0.00000 0.00000 0.45900 Fe4 0.00000 0.27670 0.50000 0.06800 Mn4 0.00000 0.27670 0.50000 0.01700 Mg4 0.00000 0.27670 0.50000 0.02300 Ca4 0.00000 0.27670 0.50000 0.86800 Na4 0.00000 0.27670 0.50000 0.02400 Si1 0.28030 0.08400 0.29410 0.94800 Al1 0.28030 0.08400 0.29410 0.05200 Si2 0.28960 0.17030 0.80180 1.00000 NaA(m) 0.02500 0.50000 0.06300 0.06400 KA(m) 0.02500 0.50000 0.06300 0.01200 H 0.19700 0.00000 0.73400 0.94700 O1 0.11170 0.08680 0.21490 1.00000 O2 0.12090 0.17290 0.72210 1.00000 O3 0.11060 0.00000 0.71360 0.97600 F3 0.11060 0.00000 0.71360 0.02400 O4 0.36700 0.24640 0.79010 1.00000 O5 0.34550 0.13360 0.09510 1.00000 O6 0.34320 0.11840 0.58610 1.00000 O7 0.33510 0.00000 0.28870 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 0.00928 0.00671 0.00668 0.00000 0.00224 0.00000 Mn1 0.00928 0.00671 0.00668 0.00000 0.00224 0.00000 Mg1 0.00928 0.00671 0.00668 0.00000 0.00224 0.00000 Fe2 0.00789 0.00671 0.00734 0.00000 0.00199 0.00000 Mn2 0.00789 0.00671 0.00734 0.00000 0.00199 0.00000 Mg2 0.00789 0.00671 0.00734 0.00000 0.00199 0.00000 Al2 0.00789 0.00671 0.00734 0.00000 0.00199 0.00000 Ti2 0.00789 0.00671 0.00734 0.00000 0.00199 0.00000 Fe3 0.00789 0.00503 0.00574 0.00000 0.00124 0.00000 Mg3 0.00789 0.00503 0.00574 0.00000 0.00124 0.00000 Fe4 0.01299 0.01509 0.01269 0.00000 0.00772 0.00000 Mn4 0.01299 0.01509 0.01269 0.00000 0.00772 0.00000 Mg4 0.01299 0.01509 0.01269 0.00000 0.00772 0.00000 Ca4 0.01299 0.01509 0.01269 0.00000 0.00772 0.00000 Na4 0.01299 0.01509 0.01269 0.00000 0.00772 0.00000 Si1 0.00603 0.00503 0.00548 0.00000 0.00075 0.00000 Al1 0.00603 0.00503 0.00548 0.00000 0.00075 0.00000 Si2 0.00650 0.00503 0.00534 -0.00088 0.00075 0.00000 O1 0.00789 0.01006 0.00841 -0.00088 0.00174 0.00000 O2 0.00742 0.01006 0.00895 0.00000 0.00075 0.00000 O3 0.01021 0.01006 0.01082 0.00000 0.00224 0.00000 F3 0.01021 0.01006 0.01082 0.00000 0.00224 0.00000 O4 0.01345 0.00838 0.01255 -0.00353 0.00249 0.00000 O5 0.00928 0.01342 0.00828 0.00088 0.00149 0.00426 O6 0.00974 0.01342 0.00868 0.00000 0.00149 -0.00379 O7 0.01021 0.00671 0.01843 0.00000 0.00174 0.00000