data_global _chemical_name_mineral 'Medaite' 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 0019904 _chemical_compound_source 'Fianel, Val Ferrera, Graubunden, Switzerland' _chemical_formula_sum 'Mn6 Si5.07 V.837 As.093 O19 H' _cell_length_a 6.6748 _cell_length_b 28.8203 _cell_length_c 7.5444 _cell_angle_alpha 90 _cell_angle_beta 95.363 _cell_angle_gamma 90 _cell_volume 1444.961 _exptl_crystal_density_diffrn 3.800 _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 0.37041 0.02258 0.15426 1.00000 0.01430 Mn2 0.68345 0.31660 0.02673 1.00000 0.00940 Mn3 0.45452 0.13659 0.22263 1.00000 0.00930 Mn4 0.67002 0.08672 0.91860 1.00000 0.00860 Mn5 0.14027 0.07644 0.44126 1.00000 0.01150 Mn6 0.47452 0.25295 0.31019 1.00000 0.01130 SiT1 0.69520 0.16629 0.59150 1.00000 0.00690 SiT2 0.64130 0.06170 0.51630 1.00000 0.00570 SiT3 0.86590 0.01174 0.22840 1.00000 0.00530 SiT4 0.81590 -0.09457 0.16470 1.00000 0.00540 SiT5 1.03840 -0.14638 -0.11570 1.00000 0.00540 VT6 0.49247 0.21348 0.88249 0.83700 0.00570 AsT6 0.49247 0.21348 0.88249 0.09300 0.00570 SiT6 0.49247 0.21348 0.88249 0.07000 0.00570 O1 0.65380 0.25747 0.85800 1.00000 0.01200 O2 0.45120 0.20246 1.09050 1.00000 0.01060 O3 0.27600 0.22427 0.76050 1.00000 0.01450 O4 0.60830 0.16481 0.79260 1.00000 0.01010 O5 0.51030 0.18438 0.45360 1.00000 0.00930 O6 0.89260 0.19739 0.60020 1.00000 0.01070 O7 0.75250 0.11238 0.55300 1.00000 0.00990 O8 0.44660 0.06924 0.37410 1.00000 0.00860 O9 0.59640 0.04149 0.70410 1.00000 0.00970 O10 0.80610 0.02939 0.42580 1.00000 0.01120 O11 1.07390 0.03680 0.20890 1.00000 0.01130 O12 0.68670 0.02236 0.07500 1.00000 0.00870 O13 0.89770 -0.04412 0.24480 1.00000 0.01150 O14 0.63070 -0.09014 0.01270 1.00000 0.00860 O15 0.77710 -0.12128 0.34470 1.00000 0.00950 O16 1.00250 -0.11735 0.06820 1.00000 0.00920 O17 1.25340 -0.12767 -0.15570 1.00000 0.00900 O18 0.86400 -0.13968 -0.27990 1.00000 0.00910 O19 1.03090 -0.20130 -0.05310 1.00000 0.01210 H19 0.97200 -0.21700 -0.16000 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 0.01430 0.01420 0.01440 0.00000 0.00160 -0.00140 Mn2 0.00970 0.00850 0.01030 -0.00140 0.00270 -0.00120 Mn3 0.00830 0.00960 0.01030 0.00030 0.00180 -0.00050 Mn4 0.00780 0.00940 0.00860 -0.00180 0.00100 -0.00180 Mn5 0.01200 0.01310 0.00920 -0.00120 0.00050 -0.00350 Mn6 0.01270 0.01010 0.01160 -0.00080 0.00260 0.00150 SiT1 0.00650 0.00770 0.00630 -0.00150 -0.00080 0.00000 SiT2 0.00560 0.00550 0.00570 0.00000 -0.00010 -0.00020 SiT3 0.00500 0.00640 0.00440 0.00090 -0.00050 -0.00060 SiT4 0.00620 0.00490 0.00500 0.00030 0.00030 -0.00020 SiT5 0.00430 0.00700 0.00470 0.00080 -0.00060 -0.00030 VT6 0.00590 0.00670 0.00450 -0.00020 0.00010 0.00080 AsT6 0.00590 0.00670 0.00450 -0.00020 0.00010 0.00080 SiT6 0.00590 0.00670 0.00450 -0.00020 0.00010 0.00080 O1 0.01100 0.00500 0.02000 -0.00020 0.00290 0.00200 O2 0.01800 0.00800 0.00600 0.00140 0.00100 0.00110 O3 0.01200 0.01700 0.01300 0.00460 -0.00370 0.00050 O4 0.01000 0.01500 0.00600 -0.00120 0.00240 0.00480 O5 0.00900 0.00700 0.01100 0.00220 -0.00330 -0.00300 O6 0.00900 0.01100 0.01100 -0.00510 0.00060 -0.00050 O7 0.01100 0.00600 0.01200 -0.00170 -0.00420 -0.00360 O8 0.00700 0.00800 0.01100 -0.00070 -0.00060 -0.00120 O9 0.00900 0.01000 0.01000 0.00030 0.00020 0.00110 O10 0.01100 0.01600 0.00600 0.00750 -0.00260 -0.00140 O11 0.00800 0.01300 0.01200 -0.00290 -0.00160 0.00030 O12 0.01000 0.01100 0.00500 0.00100 0.00000 0.00050 O13 0.01000 0.00500 0.01800 0.00360 -0.00580 -0.00400 O14 0.00800 0.00600 0.01100 0.00050 -0.00110 -0.00260 O15 0.01000 0.01000 0.00900 0.00090 0.00250 0.00260 O16 0.01100 0.00900 0.00700 0.00190 -0.00160 -0.00370 O17 0.00700 0.01100 0.00900 0.00040 0.00080 -0.00060 O18 0.00600 0.00900 0.01200 -0.00050 -0.00280 0.00030 O19 0.02000 0.01000 0.00600 -0.00430 -0.00450 0.00040