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: C46, 11B, from Luce Lake, Labrador, Canada in an iron formation after heating at 600 C ; _database_code_amcsd 0001990 _chemical_formula_sum 'Fe2.711 Mn.026 Mg2.423 Ca1.77 Na.112 Si7.984 Al.016 K.004 H1.878 O23.918 F.046 Cl.036' _cell_length_a 9.890 _cell_length_b 18.198 _cell_length_c 5.296 _cell_angle_alpha 90 _cell_angle_beta 104.57 _cell_angle_gamma 90 _cell_volume 922.512 _exptl_crystal_density_diffrn 3.228 _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 0.52700 Mn1 0.00000 0.08850 0.50000 0.00300 Mg1 0.00000 0.08850 0.50000 0.47000 Fe2 0.00000 0.17840 0.00000 0.52600 Mn2 0.00000 0.17840 0.00000 0.00900 Mg2 0.00000 0.17840 0.00000 0.46500 Fe3 0.00000 0.00000 0.00000 0.47900 Mg3 0.00000 0.00000 0.00000 0.52100 Fe4 0.00000 0.27670 0.50000 0.06300 Mn4 0.00000 0.27670 0.50000 0.00100 Mg4 0.00000 0.27670 0.50000 0.01600 Ca4 0.00000 0.27670 0.50000 0.88500 Na4 0.00000 0.27670 0.50000 0.03500 Si1 0.28000 0.08390 0.29340 0.99600 Al1 0.28000 0.08390 0.29340 0.00400 Si2 0.28920 0.17020 0.80120 1.00000 NaA(m) 0.03400 0.50000 0.07600 0.02100 KA(m) 0.03400 0.50000 0.07600 0.00200 H 0.19800 0.00000 0.74900 0.93900 O1 0.11200 0.08700 0.21450 1.00000 O2 0.12050 0.17260 0.72160 1.00000 O3 0.11090 0.00000 0.71400 0.95900 F3 0.11090 0.00000 0.71400 0.02300 Cl3 0.11090 0.00000 0.71400 0.01800 O4 0.36690 0.24630 0.79080 1.00000 O5 0.34520 0.13280 0.09410 1.00000 O6 0.34270 0.11860 0.58380 1.00000 O7 0.33490 0.00000 0.29120 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 0.00882 0.00671 0.00599 0.00000 0.00249 0.00000 Mn1 0.00882 0.00671 0.00599 0.00000 0.00249 0.00000 Mg1 0.00882 0.00671 0.00599 0.00000 0.00249 0.00000 Fe2 0.00743 0.00671 0.00665 0.00000 0.00199 0.00000 Mn2 0.00743 0.00671 0.00665 0.00000 0.00199 0.00000 Mg2 0.00743 0.00671 0.00665 0.00000 0.00199 0.00000 Fe3 0.00789 0.00503 0.00559 0.00000 0.00149 0.00000 Mg3 0.00789 0.00503 0.00559 0.00000 0.00149 0.00000 Fe4 0.01160 0.01510 0.01158 0.00000 0.00696 0.00000 Mn4 0.01160 0.01510 0.01158 0.00000 0.00696 0.00000 Mg4 0.01160 0.01510 0.01158 0.00000 0.00696 0.00000 Ca4 0.01160 0.01510 0.01158 0.00000 0.00696 0.00000 Na4 0.01160 0.01510 0.01158 0.00000 0.00696 0.00000 Si1 0.00650 0.00503 0.00466 0.00000 0.00149 -0.00047 Al1 0.00650 0.00503 0.00466 0.00000 0.00149 -0.00047 Si2 0.00696 0.00671 0.00492 -0.00176 0.00124 0.00000 O1 0.00696 0.00839 0.00759 -0.00088 0.00174 0.00000 O2 0.00743 0.00839 0.00772 0.00000 0.00149 -0.00047 O3 0.01021 0.01007 0.00852 0.00000 0.00298 0.00000 F3 0.01021 0.01007 0.00852 0.00000 0.00298 0.00000 Cl3 0.01021 0.01007 0.00852 0.00000 0.00298 0.00000 O4 0.01253 0.00839 0.01158 -0.00353 0.00199 0.00047 O5 0.00882 0.01174 0.00639 0.00000 0.00199 0.00331 O6 0.00928 0.01342 0.00626 0.00000 0.00174 -0.00236 O7 0.00975 0.00503 0.01624 0.00000 0.00348 0.00000