data_global _chemical_name_mineral 'Clintonite-1M' loop_ _publ_author_name 'MacKinney J A' 'Mora C I' 'Bailey S W' _journal_name_full 'American Mineralogist' _journal_volume 73 _journal_year 1988 _journal_page_first 365 _journal_page_last 375 _publ_section_title ; Structure and crystal chemistry of clintonite Sample from Ertsberg, Irian Jaya ; _database_code_amcsd 0001142 _chemical_formula_sum 'Si1.12 Al3.64 Fe.15 Mg2.09 Ca O12 H2' _cell_length_a 5.199 _cell_length_b 9.005 _cell_length_c 9.812 _cell_angle_alpha 90 _cell_angle_beta 100.30 _cell_angle_gamma 90 _cell_volume 451.966 _exptl_crystal_density_diffrn 3.108 _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 0.57030 0.16700 0.21000 0.28000 Al 0.57030 0.16700 0.21000 0.70000 Fe 0.57030 0.16700 0.21000 0.02000 Mg1 0.00000 0.50000 0.50000 0.75000 Al1 0.00000 0.50000 0.50000 0.18000 Fe1 0.00000 0.50000 0.50000 0.07000 Mg2 0.50000 0.32920 0.50000 0.67000 Al2 0.50000 0.32920 0.50000 0.33000 Ca 0.50000 0.50000 0.00000 1.00000 O1 0.42600 0.00000 0.15280 1.00000 O2 0.86310 0.18760 0.15130 1.00000 O3 0.63110 0.16850 0.38870 1.00000 O-h 0.62810 0.50000 0.39810 1.00000 H 0.08800 0.00000 0.30300 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 0.00676 0.00781 0.00519 0.00000 0.00125 0.00000 Al 0.00676 0.00781 0.00519 0.00000 0.00125 0.00000 Fe 0.00676 0.00781 0.00519 0.00000 0.00125 0.00000 Mg1 0.00451 0.00575 0.00614 0.00000 0.00100 0.00000 Al1 0.00451 0.00575 0.00614 0.00000 0.00100 0.00000 Fe1 0.00451 0.00575 0.00614 0.00000 0.00100 0.00000 Mg2 0.00464 0.00534 0.00519 0.00000 0.00125 0.00000 Al2 0.00464 0.00534 0.00519 0.00000 0.00125 0.00000 Ca 0.00994 0.01068 0.00567 0.00000 0.00125 0.00000 O1 0.01246 0.01315 0.00897 0.00000 0.00025 0.00000 O2 0.01206 0.01520 0.00944 -0.00187 0.00250 -0.00176 O3 0.01246 0.01232 0.00755 0.00000 0.00150 -0.00176 O-h 0.01166 0.01931 0.00425 0.00000 0.00050 0.00000