data_global _chemical_name_mineral 'Scheuchzerite' loop_ _publ_author_name 'Brugger J' 'Krivovichev S' 'Meisser N' 'Ansermet S' 'Armbruster T' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 937 _journal_page_last 943 _publ_section_title ; Scheuchzerite, Na(Mn,Mg)9[VSi9O28(OH)](OH)3, a new single-chain silicate Sample: Fianel, Val Ferrera, Central Alps, Switzerland ; _database_code_amcsd 0004162 _chemical_formula_sum 'Na.8 Mn8.57 Mg.63 V Si9 O32 H4' _cell_length_a 9.831 _cell_length_b 10.107 _cell_length_c 13.855 _cell_angle_alpha 86.222 _cell_angle_beta 73.383 _cell_angle_gamma 71.987 _cell_volume 1254.126 _exptl_crystal_density_diffrn 3.507 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,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 Na 0.13100 0.43580 0.29350 0.80000 0.02600 Mn1 0.07570 0.83100 0.01360 1.00000 0.00850 Mn2 0.56710 0.69370 0.15990 1.00000 0.01140 Mn3 0.15380 0.08230 0.56190 1.00000 0.01460 Mn4 0.71290 0.36340 0.19030 0.93000 0.00960 Mg4 0.71290 0.36340 0.19030 0.07000 0.00960 Mn5 0.74990 0.48350 0.96890 1.00000 0.01070 Mn6 0.32620 0.76450 0.58800 1.00000 0.00850 Mn7 0.47940 0.43530 0.61400 0.84000 0.01270 Mg7 0.47940 0.43530 0.61400 0.16000 0.01270 Mn8 0.63060 0.10390 0.63740 0.80000 0.01110 Mg8 0.63060 0.10390 0.63740 0.20000 0.01110 Mn9 0.14250 0.97110 0.78690 1.00000 0.01260 Mg 0.10900 0.55700 0.64900 0.20000 0.05000 V1 0.81670 0.23860 0.76930 0.89000 0.01000 V1A 0.95100 0.29700 0.77000 0.11000 0.01000 Si1 0.45500 0.74120 0.95010 1.00000 0.00580 Si2 0.28250 0.04740 0.96560 1.00000 0.00970 Si3 0.03710 0.14250 0.36560 1.00000 0.00580 Si4 -0.52000 0.18360 0.26580 1.00000 0.01020 Si5 0.69260 0.63040 0.54350 1.00000 0.00800 Si6 0.93400 0.55550 0.13660 1.00000 0.01130 Si7 0.08040 0.23710 0.14900 1.00000 0.00920 Si8 0.75390 0.73850 0.32570 1.00000 0.01300 Si9 0.84500 0.32510 0.55000 1.00000 0.00970 O1 0.31090 0.69260 0.95270 1.00000 0.00700 O-H2 0.49440 0.48020 0.75880 1.00000 0.01000 O3 0.54570 0.60380 0.53410 1.00000 0.01000 O4 -0.06820 0.20560 0.14290 1.00000 0.00700 O5 -0.09880 0.09250 0.35620 1.00000 0.01100 O6 0.14320 0.00980 0.94030 1.00000 0.01100 O7 0.69680 0.28720 0.55560 1.00000 0.01200 O-H8 0.26920 0.59270 0.66380 1.00000 0.01000 O9 0.91640 0.11860 0.83780 1.00000 0.01600 O10 -0.36150 0.19390 0.27230 1.00000 0.01500 O11 0.78920 0.53510 0.11610 1.00000 0.01000 O-H12 0.38110 0.93640 0.51200 1.00000 0.01000 O13 0.15070 0.03280 0.41700 1.00000 0.01000 O14 0.59750 0.72990 0.31740 1.00000 0.01100 O15 0.66670 0.18890 0.76880 1.00000 0.01600 O16 0.55370 0.64400 0.01750 1.00000 0.01300 O17 0.78990 0.87610 0.30670 1.00000 0.00900 O18 0.92660 0.24070 0.63540 1.00000 0.01300 O19 0.76030 0.40060 0.81980 1.00000 0.01900 O20 0.02020 0.64680 0.06280 1.00000 0.01300 O21 0.81170 0.48960 0.56680 1.00000 0.01300 O22 0.06490 0.40200 0.13870 1.00000 0.01200 O23 0.77160 0.70150 0.44200 1.00000 0.01800 O24 0.11090 0.19890 0.25730 1.00000 0.01600 O25 0.39490 0.90120 0.99020 1.00000 0.01900 O26 0.36610 0.12450 0.87200 0.50000 0.01100 O-H26 0.36610 0.12450 0.87200 0.50000 0.01100 O27 0.22450 0.15090 0.06430 1.00000 0.01600 O28 0.88940 0.61130 0.25590 1.00000 0.01900 O29 -0.52460 0.02580 0.26720 0.50000 0.02000 O-H29 -0.52460 0.02580 0.26720 0.50000 0.02000 O30 -0.03000 0.28630 0.43680 1.00000 0.01700 O31 0.65730 0.73240 0.63820 1.00000 0.01700 O32 0.55790 0.73200 0.83330 1.00000 0.00900 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 0.00690 0.00620 0.00680 0.00410 0.00030 -0.00100 Mn2 0.00940 0.01170 0.00970 0.00180 -0.00170 -0.00520 Mn3 0.01510 0.01330 0.01070 0.00190 -0.00210 -0.00370 Mn4 0.01040 0.00720 0.00790 0.00120 -0.00140 -0.00170 Mg4 0.01040 0.00720 0.00790 0.00120 -0.00140 -0.00170 Mn5 0.01040 0.00990 0.00600 0.00370 -0.00070 0.00050 Mn6 0.00840 0.01050 0.00420 0.00000 -0.00090 -0.00090 Mn7 0.01200 0.01100 0.01200 -0.00220 -0.00030 -0.00160 Mg7 0.01200 0.01100 0.01200 -0.00220 -0.00030 -0.00160 Mn8 0.01100 0.01170 0.00610 0.00210 -0.00100 -0.00170 Mg8 0.01100 0.01170 0.00610 0.00210 -0.00100 -0.00170 Mn9 0.01410 0.01240 0.00480 0.00190 0.00170 -0.00360