data_global _chemical_name_mineral 'Clintonite-1M' loop_ _publ_author_name 'Alietti E' 'Brigatti M F' 'Poppi L' _journal_name_full 'American Mineralogist' _journal_volume 82 _journal_year 1997 _journal_page_first 936 _journal_page_last 945 _publ_section_title ; Clintonite-1M: Crystal chemistry and its relationships to closely associated Al-rich phlogopite Sample: Cli9b ; _database_code_amcsd 0001948 _chemical_formula_sum 'Si1.28 Al3.35 Ca Fe.15 Mg2.22 O12 H2' _cell_length_a 5.2016 _cell_length_b 9.005 _cell_length_c 9.816 _cell_angle_alpha 90 _cell_angle_beta 100.30 _cell_angle_gamma 90 _cell_volume 452.376 _exptl_crystal_density_diffrn 3.104 _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 Si 0.07070 0.16700 0.21030 0.32000 Al 0.07070 0.16700 0.21030 0.68000 Ca 0.00000 0.50000 0.00000 1.00000 Al1 0.00000 0.00000 0.50000 0.21000 Fe1 0.00000 0.00000 0.50000 0.05000 Mg1 0.00000 0.00000 0.50000 0.74000 Al2 0.00000 0.32960 0.50000 0.21000 Fe2 0.00000 0.32960 0.50000 0.05000 Mg2 0.00000 0.32960 0.50000 0.74000 O1 -0.07150 0.00000 0.15160 1.00000 O2 0.36190 0.18820 0.15100 1.00000 O3 0.12980 0.16860 0.38780 1.00000 O-H4 0.12930 0.50000 0.39770 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 Si 0.02349 0.02383 0.02126 0.00000 0.00401 -0.00044 Al 0.02349 0.02383 0.02126 0.00000 0.00401 -0.00044 Ca 0.02349 0.02547 0.01937 0.00000 0.00300 0.00000 Al1 0.02110 0.02095 0.02221 0.00000 0.00451 0.00000 Fe1 0.02110 0.02095 0.02221 0.00000 0.00451 0.00000 Mg1 0.02110 0.02095 0.02221 0.00000 0.00451 0.00000 Al2 0.02362 0.02383 0.02221 0.00000 0.00426 0.00000 Fe2 0.02362 0.02383 0.02221 0.00000 0.00426 0.00000 Mg2 0.02362 0.02383 0.02221 0.00000 0.00426 0.00000 O1 0.02972 0.02588 0.02457 0.00000 0.00150 0.00000 O2 0.02946 0.03204 0.02126 -0.00093 0.00426 -0.00088 O3 0.02733 0.02547 0.02363 -0.00070 0.00451 0.00000 O-H4 0.02680 0.03286 0.02032 0.00000 0.00250 0.00000