data_global _chemical_name_mineral 'Sherwoodite' loop_ _publ_author_name 'Evans H T' 'Konnert J A' _journal_name_full 'American Mineralogist' _journal_volume 63 _journal_year 1978 _journal_page_first 863 _journal_page_last 868 _publ_section_title ; The crystal chemistry of sherwoodite, a calcium 14-vanadoaluminate heteropoly complex ; _database_code_amcsd 0000685 _chemical_formula_sum 'Ca2 Al V14 O40' _cell_length_a 28.06 _cell_length_b 28.06 _cell_length_c 13.56 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 10676.650 _exptl_crystal_density_diffrn 1.817 _symmetry_space_group_name_H-M 'I 41/a m d' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/4-y,3/4-x,1/4+z' '3/4-y,1/4-x,3/4+z' '1/4+y,3/4+x,1/4-z' '3/4+y,1/4+x,3/4-z' '1/4+y,3/4-x,1/4-z' '3/4+y,1/4-x,3/4-z' '1/4-y,3/4+x,1/4+z' '3/4-y,1/4+x,3/4+z' '1/2+x,-y,1/2+z' '+x,1/2-y,+z' '1/2-x,y,1/2-z' '-x,1/2+y,-z' '1/2+x,y,1/2-z' '+x,1/2+y,-z' '1/2-x,-y,1/2+z' '-x,1/2-y,+z' '1/4+y,1/4+x,3/4+z' '3/4+y,3/4+x,1/4+z' '1/4-y,1/4-x,3/4-z' '3/4-y,3/4-x,1/4-z' '1/4-y,1/4+x,3/4-z' '3/4-y,3/4+x,1/4-z' '1/4+y,1/4-x,3/4+z' '3/4+y,3/4-x,1/4+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ca 0.13180 -0.11820 0.12500 0.00215 Al 0.00000 0.00000 0.00000 0.00291 V1 0.00000 0.06980 0.27580 0.00291 V2 0.05700 -0.01490 0.19400 0.00203 V3 0.05630 0.08520 0.08410 0.00177 V4 0.00000 -0.10150 0.11310 0.00203 V5 0.11590 0.00000 0.00000 0.00165 O1 0.00000 0.09600 0.38000 0.00279 O2 0.04900 0.01700 0.29800 0.00241 O3 0.05000 0.09900 0.19200 0.00266 O4 0.00000 -0.05900 0.20700 0.00228 O5 0.00000 0.03100 0.12200 0.00152 O6 0.00000 0.11100 0.02100 0.00076 O7 0.09700 -0.05300 0.22100 0.00228 O8 0.09600 0.02900 0.12000 0.00241 O9 0.09700 0.12000 0.04900 0.00241 O10 0.04900 -0.13100 0.14800 0.00228 O11 0.04900 -0.04200 0.04400 0.00063 O12 0.15100 -0.04100 0.05700 0.00228