data_global _chemical_name_mineral 'Tiragalloite' loop_ _publ_author_name 'Nagashima M' 'Armbruster T' _journal_name_full 'Mineralogical Magazine' _journal_volume 74 _journal_year 2010 _journal_page_first 55 _journal_page_last 71 _publ_section_title ; Ardennite, tiragalloite and medaite: structural control of (As5+,V5+,Si4+)O4 tetrahedra in silicates ; _database_code_amcsd 0019902 _chemical_compound_source 'Gambatesa mine, Val Graveglia, Liguria, Italy' _chemical_formula_sum 'Mn3.938 Ca.062 Si3.22 As.7 V.08 O13 H' _cell_length_a 6.6783 _cell_length_b 19.9075 _cell_length_c 7.5750 _cell_angle_alpha 90 _cell_angle_beta 95.475 _cell_angle_gamma 90 _cell_volume 1002.489 _exptl_crystal_density_diffrn 3.808 _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_occupancy _atom_site_U_iso_or_equiv Mn1 0.25888 0.64825 -0.14680 1.00000 0.00929 Mn2 -0.45780 0.58405 0.54562 1.00000 0.00894 Mn3 0.76249 0.50952 0.24390 0.93800 0.01063 Ca3 0.76249 0.50952 0.24390 0.06200 0.01063 Mn4 0.05119 0.74619 0.13817 1.00000 0.01148 SiT1 0.23096 0.36814 0.08013 1.00000 0.00682 SiT2 0.26756 0.52089 0.16161 1.00000 0.00635 SiT3 0.04853 0.59791 0.44118 1.00000 0.00664 AsT4 0.42991 0.30164 -0.21229 0.70000 0.00689 SiT4 0.42991 0.30164 -0.21229 0.22000 0.00689 VT4 0.42991 0.30164 -0.21229 0.08000 0.00689 O1 0.26980 0.23819 -0.18420 1.00000 0.01080 O2 0.46290 0.31992 -0.41890 1.00000 0.01270 O3 0.64660 0.28808 -0.08970 1.00000 0.01600 O4 0.31760 0.36971 -0.12090 1.00000 0.01040 O5 0.03070 0.32440 0.07190 1.00000 0.01070 O6 0.41440 0.34328 0.22020 1.00000 0.01060 O7 0.17740 0.44612 0.11480 1.00000 0.01160 O8 0.30240 0.55379 -0.02510 1.00000 0.01080 O9 0.45870 0.51549 0.30780 1.00000 0.00900 O10 0.08690 0.55892 0.25510 1.00000 0.01040 O11 0.05160 0.67846 0.38600 1.00000 0.01380 O12 0.22240 0.58598 0.60220 1.00000 0.00900 O13 -0.16670 0.56929 0.47770 1.00000 0.00990 H11 0.11000 0.70500 0.48700 1.00000 0.05000 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 0.01040 0.00830 0.00920 0.00102 0.00141 0.00069 Mn2 0.00840 0.00870 0.00990 0.00024 0.00198 -0.00033 Mn3 0.01050 0.01150 0.01000 -0.00254 0.00132 -0.00320 Ca3 0.01050 0.01150 0.01000 -0.00254 0.00132 -0.00320 Mn4 0.01140 0.01000 0.01310 -0.00006 0.00120 -0.00246 SiT1 0.00730 0.00590 0.00720 -0.00020 0.00040 -0.00020 SiT2 0.00710 0.00600 0.00600 0.00070 0.00040 -0.00020 SiT3 0.00640 0.00680 0.00680 0.00030 0.00030 -0.00010 AsT4 0.00788 0.00689 0.00600 0.00001 0.00103 0.00001 SiT4 0.00788 0.00689 0.00600 0.00001 0.00103 0.00001 VT4 0.00788 0.00689 0.00600 0.00001 0.00103 0.00001 O1 0.01170 0.00810 0.01310 -0.00240 0.00370 0.00050 O2 0.02040 0.00980 0.00840 0.00170 0.00410 0.00110 O3 0.01080 0.02300 0.01370 0.00650 -0.00140 -0.00220 O4 0.01320 0.01120 0.00710 -0.00010 0.00190 -0.00090 O5 0.00990 0.00850 0.01390 -0.00230 0.00300 -0.00130 O6 0.01130 0.01250 0.00800 0.00100 0.00140 0.00050 O7 0.01170 0.00780 0.01470 0.00060 -0.00190 -0.00410 O8 0.01420 0.01050 0.00780 -0.00100 0.00110 0.00210 O9 0.00800 0.01080 0.00790 0.00070 -0.00070 0.00050 O10 0.01100 0.01250 0.00790 0.00330 0.00160 -0.00330 O11 0.02040 0.00680 0.01360 -0.00180 -0.00060 0.00130 O12 0.00910 0.01010 0.00750 0.00060 0.00010 0.00040 O13 0.00790 0.01170 0.01040 -0.00100 0.00250 -0.00170