data_global _chemical_name_mineral 'Magnesiochloritoid' loop_ _publ_author_name 'Ivaldi G' 'Catti M' 'Ferraris G' _journal_name_full 'American Mineralogist' _journal_volume 73 _journal_year 1988 _journal_page_first 358 _journal_page_last 364 _publ_section_title ; Crystal structure at 25 and 700 C of magnesiochloritoid from a high-pressure assemblage (Monte Rosa) Sample at 25 C ; _database_code_amcsd 0001139 _chemical_formula_sum 'Al2 (Mg.65 Fe.35) Si O7 H2' _cell_length_a 9.460 _cell_length_b 5.471 _cell_length_c 18.182 _cell_angle_alpha 90 _cell_angle_beta 101.4 _cell_angle_gamma 90 _cell_volume 922.456 _exptl_crystal_density_diffrn 3.332 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 _atom_site_U_iso_or_equiv Al1A 0.25000 0.25000 0.00000 1.00000 0.00529 Al2A 0.00000 0.40250 0.25000 1.00000 0.00431 Mg1B 0.08397 0.74576 0.00088 0.65000 0.00700 Fe1B 0.08397 0.74576 0.00088 0.35000 0.00700 Al2B 0.24994 0.65365 0.24886 1.00000 0.00439 Si 0.46403 0.40298 0.15595 1.00000 0.00339 O1A 0.11460 0.39270 0.05294 1.00000 0.00735 O-H1B 0.26460 0.94470 0.05001 1.00000 0.00697 O1C 0.42670 0.39770 0.06359 1.00000 0.00621 O2A 0.39450 0.15890 0.18819 1.00000 0.00494 O2B 0.39490 0.64790 0.18730 1.00000 0.00494 O2C 0.13930 0.90370 0.18702 1.00000 0.00494 O2D 0.14850 0.40160 0.20164 1.00000 0.00405 H 0.13700 0.40400 0.11200 1.00000 ?