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: AMNH 44973, from Cumberland, Rhode Island in a quartzite ; _database_code_amcsd 0001995 _chemical_formula_sum 'Fe2.757 Mn.316 Mg2.049 Al.294 Ti.004 Ca1.772 Na.192 Si7.756 K.022 H1.836 O23.952 F.048' _cell_length_a 9.884 _cell_length_b 18.189 _cell_length_c 5.302 _cell_angle_alpha 90 _cell_angle_beta 104.60 _cell_angle_gamma 90 _cell_volume 922.414 _exptl_crystal_density_diffrn 3.274 _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 0.04500 Mg1 0.00000 0.08880 0.50000 0.39800 Fe2 0.00000 0.17850 0.00000 0.48500 Mn2 0.00000 0.17850 0.00000 0.09600 Mg2 0.00000 0.17850 0.00000 0.39200 Al2 0.00000 0.17850 0.00000 0.02500 Ti2 0.00000 0.17850 0.00000 0.00200 Fe3 0.00000 0.00000 0.00000 0.55500 Mg3 0.00000 0.00000 0.00000 0.44500 Fe4 0.00000 0.27700 0.50000 0.05900 Mn4 0.00000 0.27700 0.50000 0.01700 Mg4 0.00000 0.27700 0.50000 0.01200 Ca4 0.00000 0.27700 0.50000 0.88600 Na4 0.00000 0.27700 0.50000 0.02600 Si1 0.28040 0.08400 0.29420 0.93900 Al1 0.28040 0.08400 0.29420 0.06100 Si2 0.28960 0.17040 0.80220 1.00000 NaA(m) 0.04200 0.50000 0.10300 0.07000 KA(m) 0.04200 0.50000 0.10300 0.01100 H 0.19100 0.00000 0.78400 0.91800 O1 0.11170 0.08740 0.21410 1.00000 O2 0.12060 0.17320 0.72330 1.00000 O3 0.11070 0.00000 0.71350 0.97600 F3 0.11070 0.00000 0.71350 0.02400 O4 0.36700 0.24650 0.79040 1.00000 O5 0.34550 0.13350 0.09450 1.00000 O6 0.34300 0.11880 0.58570 1.00000 O7 0.33540 0.00000 0.29090 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 0.00881 0.00670 0.00787 0.00000 0.00199 0.00000 Mn1 0.00881 0.00670 0.00787 0.00000 0.00199 0.00000 Mg1 0.00881 0.00670 0.00787 0.00000 0.00199 0.00000 Fe2 0.00742 0.00670 0.00787 0.00000 0.00149 0.00000 Mn2 0.00742 0.00670 0.00787 0.00000 0.00149 0.00000 Mg2 0.00742 0.00670 0.00787 0.00000 0.00149 0.00000 Al2 0.00742 0.00670 0.00787 0.00000 0.00149 0.00000 Ti2 0.00742 0.00670 0.00787 0.00000 0.00149 0.00000 Fe3 0.00834 0.00503 0.00707 0.00000 0.00099 0.00000 Mg3 0.00834 0.00503 0.00707 0.00000 0.00099 0.00000 Fe4 0.01344 0.01341 0.01534 0.00000 0.00771 0.00000 Mn4 0.01344 0.01341 0.01534 0.00000 0.00771 0.00000 Mg4 0.01344 0.01341 0.01534 0.00000 0.00771 0.00000 Ca4 0.01344 0.01341 0.01534 0.00000 0.00771 0.00000 Na4 0.01344 0.01341 0.01534 0.00000 0.00771 0.00000 Si1 0.00556 0.00503 0.00720 0.00000 0.00050 -0.00047 Al1 0.00556 0.00503 0.00720 0.00000 0.00050 -0.00047 Si2 0.00695 0.00670 0.00707 -0.00088 0.00075 0.00000 O1 0.00695 0.01006 0.01040 -0.00176 0.00124 0.00000 O2 0.00788 0.01006 0.01080 -0.00088 0.00124 -0.00047 O3 0.00881 0.01006 0.01027 0.00000 0.00149 0.00000 F3 0.00881 0.01006 0.01027 0.00000 0.00149 0.00000 O4 0.01298 0.01006 0.01227 -0.00441 0.00224 0.00000 O5 0.00788 0.01508 0.01094 0.00088 0.00174 0.00473 O6 0.00927 0.01341 0.00947 0.00000 0.00174 -0.00331 O7 0.01020 0.00670 0.01787 0.00000 0.00149 0.00000