data_global _chemical_name_mineral 'Phosphovanadylite-Ba' loop_ _publ_author_name 'Medrano M D' 'Evans H T' 'Wenk H R' 'Piper D Z' _journal_name_full 'American Mineralogist' _journal_volume 83 _journal_year 1998 _journal_page_first 889 _journal_page_last 895 _publ_section_title ; Phosphovanadylite: A new vanadium phosphate mineral with a zeolite-type structure ; _database_code_amcsd 0002028 _chemical_compound_source 'Monsanto's Enoch Valley mine, Soda Springs, Idaho, USA' _chemical_formula_sum '(V5.22 Al.78) P3 O36.94 Ba.94' _cell_length_a 15.470 _cell_length_b 15.470 _cell_length_c 15.470 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3702.294 _exptl_crystal_density_diffrn 1.973 _symmetry_space_group_name_H-M 'I -4 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-z,x,-y' '1/2-z,1/2+x,1/2-y' '-y,z,-x' '1/2-y,1/2+z,1/2-x' '-x,y,-z' '1/2-x,1/2+y,1/2-z' 'x,-z,-y' '1/2+x,1/2-z,1/2-y' 'z,-y,-x' '1/2+z,1/2-y,1/2-x' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' 'x,z,y' '1/2+x,1/2+z,1/2+y' 'z,y,x' '1/2+z,1/2+y,1/2+x' 'y,x,z' '1/2+y,1/2+x,1/2+z' '-z,-x,y' '1/2-z,1/2-x,1/2+y' '-y,-z,x' '1/2-y,1/2-z,1/2+x' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'z,-x,-y' '1/2+z,1/2-x,1/2-y' 'y,-z,-x' '1/2+y,1/2-z,1/2-x' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,z,-y' '1/2-x,1/2+z,1/2-y' '-z,y,-x' '1/2-z,1/2+y,1/2-x' '-y,x,-z' '1/2-y,1/2+x,1/2-z' '-x,-z,y' '1/2-x,1/2-z,1/2+y' '-z,-y,x' '1/2-z,1/2-y,1/2+x' '-y,-x,z' '1/2-y,1/2-x,1/2+z' 'z,x,y' '1/2+z,1/2+x,1/2+y' 'y,z,x' '1/2+y,1/2+z,1/2+x' 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 V 0.42940 0.42940 0.08280 0.87000 0.01700 Al 0.42940 0.42940 0.08280 0.13000 0.01700 P 0.25000 0.50000 0.00000 1.00000 0.02000 O1 0.43500 0.30700 0.05000 1.00000 0.02600 O2 0.42000 0.42000 0.18400 1.00000 0.02900 O3 0.55800 -0.55800 0.06600 1.00000 0.01700 O4 0.25700 0.25700 -0.02800 0.85000 0.09000 Ba4 0.25700 0.25700 -0.02800 0.13000 0.09000 O5 0.34000 0.34000 0.34000 0.92000 0.10200 Ba5 0.34000 0.34000 0.34000 0.08000 0.10200 O6 0.14800 0.14800 0.31400 1.00000 0.16800