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: C79, NMNH 156831, from Green Monster Mine, Alaska in uralite from cpx after heating at 700 C ; _database_code_amcsd 0001988 _chemical_formula_sum 'Fe1.94 Mn.046 Mg2.964 Al3.806 Ti.012 Ca1.898 Na.212 Si4.312 K.066 H1.844 O23.802 F.184 Cl.014' _cell_length_a 9.886 _cell_length_b 18.150 _cell_length_c 5.300 _cell_angle_alpha 90 _cell_angle_beta 104.79 _cell_angle_gamma 90 _cell_volume 919.476 _exptl_crystal_density_diffrn 3.169 _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 0.37500 Mn1 0.00000 0.08850 0.50000 0.00600 Mg1 0.00000 0.08850 0.50000 0.61900 Fe2 0.00000 0.17760 0.00000 0.38600 Mn2 0.00000 0.17760 0.00000 0.01500 Mg2 0.00000 0.17760 0.00000 0.53400 Al2 0.00000 0.17760 0.00000 0.05900 Ti2 0.00000 0.17760 0.00000 0.00600 Fe3 0.00000 0.00000 0.00000 0.34400 Mg3 0.00000 0.00000 0.00000 0.65600 Fe4 0.00000 0.27780 0.50000 0.03700 Mn4 0.00000 0.27780 0.50000 0.00200 Mg4 0.00000 0.27780 0.50000 0.00100 Ca4 0.00000 0.27780 0.50000 0.94900 Na4 0.00000 0.27780 0.50000 0.01100 Si1 0.28000 0.08410 0.29610 0.07800 Al1 0.28000 0.08410 0.29610 0.92200 Si2 0.28910 0.17090 0.80430 1.00000 NaA(m) 0.02600 0.50000 0.06600 0.09500 KA(m) 0.02600 0.50000 0.06600 0.03300 H 0.17200 0.00000 0.74400 0.92200 O1 0.11170 0.08670 0.21600 1.00000 O2 0.12000 0.17240 0.72420 1.00000 O3 0.10890 0.00000 0.71420 0.90100 F3 0.10890 0.00000 0.71420 0.09200 Cl3 0.10890 0.00000 0.71420 0.00700 O4 0.36640 0.24700 0.79200 1.00000 O5 0.34640 0.13450 0.09870 1.00000 O6 0.34430 0.11860 0.58870 1.00000 O7 0.33600 0.00000 0.29020 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 0.00926 0.00834 0.00466 0.00000 0.00149 0.00000 Mn1 0.00926 0.00834 0.00466 0.00000 0.00149 0.00000 Mg1 0.00926 0.00834 0.00466 0.00000 0.00149 0.00000 Fe2 0.00879 0.00834 0.00479 0.00000 0.00248 0.00000 Mn2 0.00879 0.00834 0.00479 0.00000 0.00248 0.00000 Mg2 0.00879 0.00834 0.00479 0.00000 0.00248 0.00000 Al2 0.00879 0.00834 0.00479 0.00000 0.00248 0.00000 Ti2 0.00879 0.00834 0.00479 0.00000 0.00248 0.00000 Fe3 0.00879 0.00501 0.00346 0.00000 0.00124 0.00000 Mg3 0.00879 0.00501 0.00346 0.00000 0.00124 0.00000 Fe4 0.01296 0.01168 0.01038 0.00000 0.00720 0.00000 Mn4 0.01296 0.01168 0.01038 0.00000 0.00720 0.00000 Mg4 0.01296 0.01168 0.01038 0.00000 0.00720 0.00000 Ca4 0.01296 0.01168 0.01038 0.00000 0.00720 0.00000 Na4 0.01296 0.01168 0.01038 0.00000 0.00720 0.00000 Si1 0.00694 0.00668 0.00333 -0.00088 0.00074 0.00000 Al1 0.00694 0.00668 0.00333 -0.00088 0.00074 0.00000 Si2 0.00602 0.00834 0.00372 0.00000 0.00124 0.00000 O1 0.00972 0.00834 0.00479 0.00000 0.00223 -0.00047 O2 0.00787 0.00834 0.00599 -0.00088 0.00199 0.00188 O3 0.00417 0.01502 0.01264 0.00000 0.00124 0.00000 F3 0.00417 0.01502 0.01264 0.00000 0.00124 0.00000 Cl3 0.00417 0.01502 0.01264 0.00000 0.00124 0.00000 O4 0.01250 0.01001 0.00958 -0.00352 0.00347 -0.00236 O5 0.01018 0.01335 0.00559 -0.00088 0.00174 0.00283 O6 0.01018 0.01335 0.00545 0.00176 0.00174 -0.00330 O7 0.01296 0.01001 0.01410 0.00000 0.00447 0.00000