data_global _chemical_name_mineral 'Schiavinatoite' loop_ _publ_author_name 'Demartin F' 'Diella V' 'Gramaccioli C M' 'Pezzotta F' _journal_name_full 'European Journal of Mineralogy' _journal_volume 13 _journal_year 2001 _journal_page_first 159 _journal_page_last 165 _publ_section_title ; Schiavinatoite, (Nb,Ta)BO4, the Nb analogue of behierite ; _database_code_amcsd 0006854 _chemical_formula_sum '(Nb.52 Ta.48) B O4' _cell_length_a 6.219 _cell_length_b 6.219 _cell_length_c 5.487 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 212.215 _exptl_crystal_density_diffrn 6.572 _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' '-y,1/2-x,1/4+z' '1/2-y,-x,3/4+z' '1/2+y,1/2+x,1/2-z' '+y,+x,-z' '1/2+y,1/2-x,1/2-z' '+y,-x,-z' '-y,1/2+x,1/4+z' '1/2-y,+x,3/4+z' '1/2+x,1/2-y,1/2+z' '+x,-y,+z' '1/2-x,y,3/4-z' '-x,1/2+y,1/4-z' '1/2+x,y,3/4-z' '+x,1/2+y,1/4-z' '1/2-x,1/2-y,1/2+z' '-x,-y,+z' '1/2+y,x,3/4+z' '+y,1/2+x,1/4+z' '-y,-x,-z' '1/2-y,1/2-x,1/2-z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' '1/2+y,-x,3/4+z' '+y,1/2-x,1/4+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,1/2-y,1/4-z' '1/2+x,-y,3/4-z' '-x,1/2-y,1/4-z' '1/2-x,-y,3/4-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 NbM 0.00000 0.00000 0.00000 0.52000 0.00325 TaM 0.00000 0.00000 0.00000 0.48000 0.00325 B 0.00000 0.00000 0.50000 1.00000 0.00557 O 0.00000 0.17920 0.32390 1.00000 0.00481 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 NbM 0.00328 0.00328 0.00322 0.00000 0.00000 0.00000 TaM 0.00328 0.00328 0.00322 0.00000 0.00000 0.00000 B 0.00600 0.00600 0.00600 0.00000 0.00000 0.00000 O 0.00750 0.00260 0.00410 0.00000 0.00000 0.00040