data_global _chemical_name_mineral 'Fetiasite' loop_ _publ_author_name 'Graeser S' 'Schwander H' 'Demartin F' 'Gramaccioli C M' 'Pilati T' 'Reusser E' _journal_name_full 'American Mineralogist' _journal_volume 79 _journal_year 1994 _journal_page_first 996 _journal_page_last 1002 _publ_section_title ; Fetiasite (Fe2+,Fe3+,Ti)3O2[As2O5], a new arsenite mineral: Its description and structure determination Note: Sample A ; _database_code_amcsd 0001676 _chemical_compound_source 'Cervandone' _chemical_formula_sum 'As2 Fe2.38 Ti.54 O7' _cell_length_a 10.614 _cell_length_b 3.252 _cell_length_c 8.945 _cell_angle_alpha 90 _cell_angle_beta 108.95 _cell_angle_gamma 90 _cell_volume 292.018 _exptl_crystal_density_diffrn 4.784 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy As1 0.40970 0.25000 0.66474 1.00000 As2 0.24978 0.25000 0.24797 1.00000 Fe1 0.04922 0.25000 0.86648 1.00000 Fe2 0.64241 0.25000 0.02199 1.00000 Fe 0.88301 0.25000 0.39371 0.38000 Ti 0.88301 0.25000 0.39371 0.54000 O1 0.08150 0.25000 0.11560 1.00000 O2 0.32920 0.25000 0.10350 1.00000 O3 0.83220 0.25000 0.15810 1.00000 O4 0.99300 0.25000 0.61930 1.00000 O5 0.43320 0.25000 0.87260 1.00000 O6 0.23480 0.25000 0.59930 1.00000 O7 0.72790 0.25000 0.67690 0.50000 O8 0.55200 0.25000 0.38270 0.50000 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 As1 0.00880 0.00950 0.00880 0.00000 0.00270 0.00000 As2 0.00930 0.01000 0.01040 0.00000 0.00320 0.00000 Fe1 0.01130 0.01020 0.01230 0.00000 0.00390 0.00000 Fe2 0.00720 0.00840 0.00960 0.00000 0.00210 0.00000 Fe 0.01740 0.01590 0.01160 0.00000 0.00160 0.00000 Ti 0.01740 0.01590 0.01160 0.00000 0.00160 0.00000 O1 0.00800 0.02400 0.01800 0.00000 0.00000 0.00000 O2 0.02000 0.02300 0.01700 0.00000 0.01000 0.00000 O3 0.00900 0.02200 0.00900 0.00000 0.00000 0.00000 O4 0.01000 0.04700 0.00900 0.00000 0.00160 0.00000 O5 0.01200 0.02700 0.00900 0.00000 0.00310 0.00000 O6 0.01300 0.09100 0.01400 0.00000 0.00200 0.00000 O7 0.02300 0.01200 0.01700 0.00000 0.00500 0.00000 O8 0.03300 0.02600 0.02000 0.00000 0.00800 0.00000