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 700 C ; _database_code_amcsd 0001140 _chemical_formula_sum 'Al2 (Mg.65 Fe.35) Si (O7 H2)' _cell_length_a 9.515 _cell_length_b 5.516 _cell_length_c 18.300 _cell_angle_alpha 90 _cell_angle_beta 101.3 _cell_angle_gamma 90 _cell_volume 941.852 _exptl_crystal_density_diffrn 3.264 _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 0.01824 Al2A 0.00000 0.40280 0.25000 1.00000 0.01545 Mg1B 0.08411 0.74680 0.00070 0.65000 0.02571 Fe1B 0.08411 0.74680 0.00070 0.35000 0.02571 Al2B 0.24980 0.65370 0.24871 1.00000 0.01570 Si 0.46414 0.40260 0.15604 1.00000 0.01229 O-H1A 0.11470 0.39220 0.05310 1.00000 0.02254 O-H1B 0.26400 0.94560 0.05000 1.00000 0.02191 O1C 0.42700 0.39760 0.06420 1.00000 0.01976 O2A 0.39490 0.16010 0.18800 1.00000 0.01634 O2B 0.39490 0.64650 0.18680 1.00000 0.01621 O2C 0.13850 0.90370 0.18630 1.00000 0.01646 O2D 0.14930 0.40160 0.20280 1.00000 0.01330