data_global _chemical_name_mineral 'Clinochlore' loop_ _publ_author_name 'Guggenheim S' 'Zhan W' _journal_name_full 'American Mineralogist' _journal_volume 84 _journal_year 1999 _journal_page_first 1415 _journal_page_last 1421 _publ_section_title ; Crystal structures of two partially dehydrated chlorites: The "modified" chlorite structure Sample: chromian clinochlore-IIb-2 Note: The sites labeled I are of undetermined occupancies. ; _database_code_amcsd 0002314 _chemical_formula_sum 'Mg2.97 Al.99 Si3.04 O12 I12 H2' _cell_length_a 5.372 _cell_length_b 9.291 _cell_length_c 14.270 _cell_angle_alpha 90 _cell_angle_beta 97.34 _cell_angle_gamma 90 _cell_volume 706.397 _exptl_crystal_density_diffrn 8.938 _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 Mg1 0.00000 0.00000 0.00000 0.99000 Al1 0.00000 0.00000 0.00000 0.01000 Mg2 0.00000 0.33310 0.00000 0.99000 Al2 0.00000 0.33310 0.00000 0.01000 Si 0.23230 0.16730 0.19340 0.76000 Al 0.23230 0.16730 0.19340 0.24000 O1 0.19370 0.16680 0.07680 1.00000 O2 0.20800 0.00000 0.23570 1.00000 O3 0.51450 0.23030 0.23510 1.00000 O-H4 0.19090 0.50000 0.07520 1.00000 I1 0.12900 0.00000 0.38800 1.00000 I2 0.19500 0.66400 0.57470 1.00000 I3 0.13300 0.33210 0.40960 1.00000 I4 0.19800 0.00000 0.59600 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 0.01300 0.00700 0.09600 0.00000 0.00300 0.00000 Al1 0.01300 0.00700 0.09600 0.00000 0.00300 0.00000 Mg2 0.01500 0.00800 0.09800 0.00000 0.00200 0.00000 Al2 0.01500 0.00800 0.09800 0.00000 0.00200 0.00000 Si 0.02380 0.01630 0.09300 0.00050 0.00220 0.00060 Al 0.02380 0.01630 0.09300 0.00050 0.00220 0.00060 O1 0.02000 0.01500 0.10500 0.00000 0.00200 0.00100 O2 0.05800 0.02200 0.11600 0.00000 -0.01100 0.00000 O3 0.04300 0.04700 0.14000 -0.01200 0.01000 -0.00800 O-H4 0.02000 0.01400 0.12700 0.00000 0.00400 0.00000 I1 0.04200 0.04400 0.15100 0.00000 0.00700 0.00000 I2 0.08900 0.08400 0.11000 -0.00400 -0.01300 0.00700 I3 0.04100 0.03800 0.21500 0.00300 0.02500 0.01300 I4 0.10300 0.08800 0.10600 0.00000 -0.00400 0.00000