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: C78, NMNH 93728 from Greiner, Zillertal, Austria in act-talc rock after heating at 700 C ; _database_code_amcsd 0001982 _chemical_formula_sum 'Fe.594 Mn.02 Mg4.43 Al.138 Ca1.774 Na.132 Si7.952 K.01 H1.976 O24' _cell_length_a 9.833 _cell_length_b 18.078 _cell_length_c 5.282 _cell_angle_alpha 90 _cell_angle_beta 104.58 _cell_angle_gamma 90 _cell_volume 908.697 _exptl_crystal_density_diffrn 3.032 _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 0.08780 0.50000 0.10600 Mn1 0.00000 0.08780 0.50000 0.00200 Mg1 0.00000 0.08780 0.50000 0.89200 Fe2 0.00000 0.17710 0.00000 0.09400 Mn2 0.00000 0.17710 0.00000 0.00500 Mg2 0.00000 0.17710 0.00000 0.85600 Al2 0.00000 0.17710 0.00000 0.04500 Fe3 0.00000 0.00000 0.00000 0.09200 Mg3 0.00000 0.00000 0.00000 0.90800 Fe4 0.00000 0.27680 0.50000 0.05100 Mn4 0.00000 0.27680 0.50000 0.00300 Mg4 0.00000 0.27680 0.50000 0.01300 Ca4 0.00000 0.27680 0.50000 0.88700 Na4 0.00000 0.27680 0.50000 0.04600 Si1 0.28050 0.08410 0.29550 0.98800 Al1 0.28050 0.08410 0.29550 0.01200 Si2 0.28900 0.17090 0.80320 1.00000 NaA(m) 0.02000 0.50000 0.02500 0.02000 KA(m) 0.02000 0.50000 0.02500 0.00500 H 0.18600 0.00000 0.75800 0.98800 O1 0.11170 0.08630 0.21680 1.00000 O2 0.11930 0.17150 0.72440 1.00000 O3 0.11000 0.00000 0.71490 1.00000 O4 0.36620 0.24740 0.79120 1.00000 O5 0.34660 0.13380 0.09690 1.00000 O6 0.34380 0.11820 0.58720 1.00000 O7 0.33720 0.00000 0.28990 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 0.00734 0.00662 0.00543 0.00000 0.00173 0.00000 Mn1 0.00734 0.00662 0.00543 0.00000 0.00173 0.00000 Mg1 0.00734 0.00662 0.00543 0.00000 0.00173 0.00000 Fe2 0.00688 0.00662 0.00463 0.00000 0.00099 0.00000 Mn2 0.00688 0.00662 0.00463 0.00000 0.00099 0.00000 Mg2 0.00688 0.00662 0.00463 0.00000 0.00099 0.00000 Al2 0.00688 0.00662 0.00463 0.00000 0.00099 0.00000 Fe3 0.00596 0.00662 0.00582 0.00000 0.00099 0.00000 Mg3 0.00596 0.00662 0.00582 0.00000 0.00099 0.00000 Fe4 0.01101 0.01325 0.00993 0.00000 0.00591 0.00000 Mn4 0.01101 0.01325 0.00993 0.00000 0.00591 0.00000 Mg4 0.01101 0.01325 0.00993 0.00000 0.00591 0.00000 Ca4 0.01101 0.01325 0.00993 0.00000 0.00591 0.00000 Na4 0.01101 0.01325 0.00993 0.00000 0.00591 0.00000 Si1 0.00505 0.00497 0.00331 -0.00087 0.00025 -0.00047 Al1 0.00505 0.00497 0.00331 -0.00087 0.00025 -0.00047 Si2 0.00505 0.00662 0.00357 -0.00087 0.00000 0.00047 O1 0.00505 0.00828 0.00662 -0.00087 0.00074 -0.00047 O2 0.00459 0.01159 0.00688 0.00000 0.00099 -0.00047 O3 0.00551 0.00993 0.01059 0.00000 0.00148 0.00000 O4 0.00963 0.00828 0.00927 -0.00436 0.00148 -0.00047 O5 0.00642 0.01159 0.00662 0.00000 0.00049 0.00421 O6 0.00642 0.01159 0.00609 0.00000 0.00074 -0.00328 O7 0.00918 0.00497 0.01125 0.00000 -0.00025 0.00000