data_global _chemical_name_mineral 'Tiragalloite' loop_ _publ_author_name 'Gramaccioli C M' 'Pilati T' 'Liborio G' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 35 _journal_year 1979 _journal_page_first 2287 _journal_page_last 2291 _publ_section_title ; Structure of a manganese(II) arsenatotrisilicate, Mn4[AsSi3O12(OH)]: The presence of a new tetrapolyphosphate-like anion Note: Displacement parameters taken from ICSD ; _database_code_amcsd 0009690 _chemical_compound_source 'Molinello, near Chiavari, Liguria,' _chemical_formula_sum 'Mn4 As Si3 O13 H' _cell_length_a 6.66 _cell_length_b 19.92 _cell_length_c 7.67 _cell_angle_alpha 90 _cell_angle_beta 95.7 _cell_angle_gamma 90 _cell_volume 1012.526 _exptl_crystal_density_diffrn 3.857 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Mn1 0.25844 0.64836 -0.14601 ? Mn2 -0.45780 0.58376 0.54669 ? Mn3 0.76253 0.50915 0.24515 ? Mn4 0.05246 0.74596 0.13942 ? As 0.43066 0.30163 -0.21252 ? Si1 0.23118 0.36790 0.08072 ? Si2 0.26741 0.52059 0.16158 ? Si3 0.04814 0.59788 0.44013 ? O1 0.27074 0.23802 -0.18296 ? O2 0.45977 0.31980 -0.42138 ? O3 0.64941 0.28926 -0.09053 ? O4 0.31652 0.36999 -0.12036 ? O5 0.03333 0.32369 0.07199 ? O6 0.41456 0.34321 0.21941 ? O7 0.17699 0.44584 0.11549 ? O8 0.30120 0.55324 -0.02563 ? O9 0.45704 0.51577 0.30760 ? O10 0.08685 0.55831 0.25473 ? O11 0.04933 0.67785 0.38415 ? O12 0.22133 0.58601 0.60057 ? O13 -0.16437 0.56880 0.47657 ? H 0.14000 0.71000 0.45000 0.03800 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 Mn1 0.00383 0.00402 0.01307 0.00094 -0.00059 0.00023 Mn2 0.00309 0.00462 0.01272 -0.00020 0.00092 -0.00039 Mn3 0.00532 0.00744 0.01349 -0.00268 0.00026 -0.00285 Mn4 0.00454 0.00523 0.01493 0.00054 0.00015 -0.00116 As 0.00743 0.00885 0.01588 -0.00033 0.00044 0.00046 Si1 0.00650 0.00563 0.01635 0.00054 0.00105 -0.00169 Si2 0.00614 0.00583 0.01546 0.00007 -0.00036 0.00008 Si3 0.00630 0.00784 0.01537 0.00033 -0.00023 0.00039 O1 0.00979 0.00925 0.01980 -0.00140 0.00200 -0.00046 O2 0.02047 0.00945 0.01709 0.00147 0.00415 0.00100 O3 0.00667 0.01970 0.02027 0.00348 -0.00223 -0.00200 O4 0.00779 0.00905 0.01588 -0.00194 0.00161 -0.00031 O5 0.01335 0.00663 0.01703 -0.00354 0.00074 -0.00285 O6 0.00890 0.00784 0.01573 -0.00154 0.00179 0.00262 O7 0.00512 0.00382 0.02715 -0.00020 -0.00033 -0.00347 O8 0.01090 0.01045 0.01292 0.00147 -0.00115 0.00193 O9 0.00801 0.00583 0.01573 0.00094 -0.00072 0.00193 O10 0.00667 0.01266 0.01419 0.00408 -0.00105 0.00162 O11 0.01513 0.00523 0.02423 -0.00375 -0.00269 0.00062 O12 0.00578 0.00965 0.01720 -0.00194 -0.00082 0.00054 O13 0.01090 0.01186 0.01765 -0.00247 0.00141 -0.00169