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-4 Note: The sites labeled I are of undetermined occupancies. ; _database_code_amcsd 0002313 _chemical_formula_sum 'Mg2.97 Al.99 Si3.04 O12 I12 H2' _cell_length_a 5.368 _cell_length_b 9.297 _cell_length_c 14.215 _cell_angle_alpha 89.86 _cell_angle_beta 97.15 _cell_angle_gamma 89.98 _cell_volume 703.899 _exptl_crystal_density_diffrn 8.970 _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 0.00050 0.33360 -0.00020 0.99000 Al2 0.00050 0.33360 -0.00020 0.01000 Si1 0.22970 0.16620 0.19330 0.76000 Al1 0.22970 0.16620 0.19330 0.24000 Si2 0.23110 0.49890 0.19340 0.76000 Al2 0.23110 0.49890 0.19340 0.24000 O1 0.19200 0.16620 0.07670 1.00000 O2 0.69240 -0.00050 0.07750 1.00000 O3 0.20800 0.33210 0.23480 1.00000 O4 0.51300 0.10100 0.23440 1.00000 O5 0.01300 0.06520 0.23380 1.00000 O-H6 0.69190 0.33260 0.07540 1.00000 I1 0.18600 0.33300 0.57500 1.00000 I2 0.19400 -0.00500 0.57400 1.00000 I3 0.19800 0.66600 0.59700 1.00000 I4 0.12900 0.66600 0.38740 1.00000 I5 0.13800 0.33380 0.41000 1.00000 I6 0.13800 0.00180 0.41100 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 0.00400 0.00800 0.08400 -0.00290 0.01000 0.00100 Al1 0.00400 0.00800 0.08400 -0.00290 0.01000 0.00100 Mg2 0.00590 0.00970 0.08600 -0.00230 0.01000 -0.00030 Al2 0.00590 0.00970 0.08600 -0.00230 0.01000 -0.00030 Si1 0.01190 0.01610 0.08100 -0.00240 0.00900 0.00100 Al1 0.01190 0.01610 0.08100 -0.00240 0.00900 0.00100 Si2 0.01190 0.01750 0.07700 -0.00160 0.01000 0.00100 Al2 0.01190 0.01750 0.07700 -0.00160 0.01000 0.00100 O1 0.00900 0.01300 0.68400 -0.00300 0.01000 0.00000 O2 0.01100 0.01400 0.08800 -0.00200 0.00800 -0.00200 O3 0.04400 0.02700 0.11800 -0.00300 0.00200 0.00300 O4 0.02500 0.04800 0.11200 0.00800 0.02000 0.01200 O5 0.02300 0.04800 0.09700 -0.02200 0.02000 -0.00900 O-H6 0.01200 0.01500 0.09900 -0.00200 0.01100 0.00000 I1 0.07200 0.08500 0.10500 0.00100 0.01700 0.00400 I2 0.07500 0.06700 0.09800 0.00300 0.01300 0.00000 I3 0.07200 0.07600 0.13500 -0.00700 0.02200 -0.00600 I4 0.02500 0.03000 0.13200 -0.00400 0.01500 -0.00200 I5 0.02200 0.02900 0.19300 0.00200 0.01400 0.00400 I6 0.02600 0.02600 0.20700 -0.00200 0.03500 -0.01100