data_global _chemical_name_mineral 'Ansermetite' loop_ _publ_author_name 'Brugger J' 'Berlepsch P' 'Meisser N' 'Armbruster T' _journal_name_full 'The Canadian Mineralogist' _journal_volume 41 _journal_year 2003 _journal_page_first 1423 _journal_page_last 1431 _publ_section_title ; Ansermetite, MnV2O6.4H2O, a new mineral species with V5+ in five-fold coordination from Val Ferrera, Eastern Swiss Alps ; _database_code_amcsd 0005917 _chemical_compound_source 'Val Ferrera, Eastern Swiss Alps' _chemical_formula_sum 'Mn V1.95 O10 H8' _cell_length_a 13.171 _cell_length_b 10.128 _cell_length_c 6.983 _cell_angle_alpha 90 _cell_angle_beta 111.572 _cell_angle_gamma 90 _cell_volume 866.258 _exptl_crystal_density_diffrn 2.472 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-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 Mn 0.25000 0.25000 0.00000 1.00000 0.01880 V 0.10541 0.47440 0.19330 0.97500 0.01420 O1 0.20470 0.57950 0.30040 1.00000 0.02540 O2 0.16010 0.33040 0.17820 1.00000 0.02410 O3 0.38850 0.35890 0.21650 1.00000 0.03480 O4 0.94010 0.46120 0.07880 1.00000 0.02400 O5 0.39340 0.62460 0.10730 1.00000 0.03930 H3A 0.39200 0.44500 0.22800 1.00000 0.05000 H3B 0.42600 0.29600 0.23400 1.00000 0.05000 H5A 0.45600 0.64400 0.12700 1.00000 0.05000 H5B 0.34800 0.64700 0.16700 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 Mn 0.01880 0.02000 0.01880 0.00210 0.00830 -0.00100 V 0.01470 0.01660 0.01250 0.00140 0.00670 -0.00120 O1 0.02800 0.02800 0.02200 -0.00900 0.01100 -0.00400 O2 0.02900 0.02400 0.02400 0.00500 0.01400 0.00200 O3 0.02500 0.03500 0.04200 -0.00400 0.01000 -0.00700 O4 0.01700 0.04000 0.02000 0.00200 0.01200 0.00300 O5 0.04500 0.03500 0.04200 -0.00400 0.02200 -0.00800