data_global _chemical_name_mineral 'Clinochlore' loop_ _publ_author_name 'Nelson D O' 'Guggenheim S' _journal_name_full 'American Mineralogist' _journal_volume 78 _journal_year 1993 _journal_page_first 1197 _journal_page_last 1207 _publ_section_title ; Inferred limitations to the oxidation of Fe in chlorite: a high-temperature single-crystal X-ray study T = 550 C ; _database_code_amcsd 0001619 _chemical_formula_sum 'Mg4.95 Al1.7 Fe.33 Si3.02 O18 H8' _cell_length_a 5.3437 _cell_length_b 9.256 _cell_length_c 14.422 _cell_angle_alpha 90.25 _cell_angle_beta 97.28 _cell_angle_gamma 89.99 _cell_volume 707.573 _exptl_crystal_density_diffrn 2.654 _symmetry_space_group_name_H-M 'C -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' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg1 0.00000 0.00000 0.00000 0.99000 Al1 0.00000 0.00000 0.00000 0.01000 Mg2 0.00070 0.33370 0.00000 0.99000 Al2 0.00070 0.33370 0.00000 0.01000 Mg3 -0.00080 0.16700 0.50000 0.99000 Al3 -0.00080 0.16700 0.50000 0.01000 Al4 0.00000 0.50000 0.50000 0.67000 Fe4 0.00000 0.50000 0.50000 0.33000 SiT1 0.23160 0.16780 0.19140 0.75500 AlT1 0.23160 0.16780 0.19140 0.24500 SiT2 0.73150 0.00110 0.19140 0.75500 AlT2 0.73150 0.00110 0.19140 0.24500 O-h1 0.69150 0.33320 0.07270 1.00000 O-h2 0.14750 -0.00070 0.42960 1.00000 O-h3 0.14050 0.33460 0.42950 1.00000 O-h4 0.64030 0.16300 0.43000 1.00000 O1 0.19490 0.16710 0.07720 1.00000 O2 0.69380 0.00040 0.07660 1.00000 O3 0.22120 0.33250 0.23250 1.00000 O4 0.50790 0.09480 0.23230 1.00000 O5 0.01020 0.07310 0.23300 1.00000 H1 0.23200 0.84800 0.14200 1.00000 H2 0.16700 0.97700 0.36000 1.00000 H3 0.11500 0.30500 0.36700 1.00000 H4 0.61600 0.14900 0.36500 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 Mg1 0.00500 0.00600 0.02800 0.00500 0.00300 -0.00100 Al1 0.00500 0.00600 0.02800 0.00500 0.00300 -0.00100 Mg2 0.00500 0.00400 0.02900 0.00400 0.00400 0.00000 Al2 0.00500 0.00400 0.02900 0.00400 0.00400 0.00000 Mg3 0.00500 0.00700 0.02800 0.00300 0.00400 0.00000 Al3 0.00500 0.00700 0.02800 0.00300 0.00400 0.00000 Al4 0.02700 0.03500 0.04700 0.00200 0.00500 0.00000 Fe4 0.02700 0.03500 0.04700 0.00200 0.00500 0.00000 SiT1 0.00400 0.00700 0.02400 0.00300 0.00300 -0.00100 AlT1 0.00400 0.00700 0.02400 0.00300 0.00300 -0.00100 SiT2 0.00600 0.01000 0.02800 0.00600 0.00400 0.00000 AlT2 0.00600 0.01000 0.02800 0.00600 0.00400 0.00000 O-h1 0.00400 0.01200 0.03200 0.00400 0.00400 0.00000 O-h2 0.02400 0.02100 0.03200 -0.00100 0.00100 0.00000 O-h3 0.03000 0.02100 0.02200 0.00200 0.00000 -0.00200 O-h4 0.01900 0.02000 0.03300 0.01000 0.00600 -0.00100 O1 0.00300 0.00900 0.02700 0.00400 0.00200 0.00100 O2 0.00600 0.00900 0.03000 0.00600 0.00600 0.00100 O3 0.02800 0.01900 0.04100 0.00200 0.00800 0.00100 O4 0.01200 0.03200 0.04300 0.01300 0.00500 0.00100 O5 0.02300 0.02600 0.03200 -0.00600 0.00500 0.00000