data_global _chemical_name_mineral 'Menezesite' loop_ _publ_author_name 'Atencio D' 'Coutinho J M V' 'Doriguetto A C' 'Mascarenhas Y P' 'Ellena J' 'Ferrari V C' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 81 _journal_page_last 87 _publ_section_title ; Menezesite, the first natural heteropolyniobate, from Cajati, Sao Paulo, Brazil: description and crystal structure ; _database_code_amcsd 0004492 _chemical_compound_source 'Jacupiranga mine, Cajati county, Sao Paulo, Brazil' _chemical_formula_sum 'Nb9.22 Ta.36 Ti3.25 Zr2.74 Th.55 Fe.23 Mn.23 Mg.935 Ba2.21 Ca.31 K.53 O54 H24' _cell_length_a 13.017 _cell_length_b 13.017 _cell_length_c 13.017 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2205.630 _exptl_crystal_density_diffrn 4.107 _symmetry_space_group_name_H-M 'I m 3' 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' 'z,-x,y' '1/2+z,1/2-x,1/2+y' '-z,x,y' '1/2-z,1/2+x,1/2+y' '-z,-x,-y' '1/2-z,1/2-x,1/2-y' 'y,-z,-x' '1/2+y,1/2-z,1/2-x' '-y,-z,x' '1/2-y,1/2-z,1/2+x' '-y,z,-x' '1/2-y,1/2+z,1/2-x' '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,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' '-z,-x,y' '1/2-z,1/2-x,1/2+y' '-z,x,-y' '1/2-z,1/2+x,1/2-y' 'z,-x,-y' '1/2+z,1/2-x,1/2-y' 'z,x,y' '1/2+z,1/2+x,1/2+y' '-y,z,x' '1/2-y,1/2+z,1/2+x' 'y,z,-x' '1/2+y,1/2+z,1/2-x' 'y,-z,x' '1/2+y,1/2-z,1/2+x' '-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,-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_occupancy _atom_site_U_iso_or_equiv NbA 0.00000 0.11740 0.24050 0.76830 0.03600 TaA 0.00000 0.11740 0.24050 0.03000 0.03600 TiA 0.00000 0.11740 0.24050 0.19170 0.03600 ZrB 0.25000 0.25000 0.25000 0.68500 0.03800 ThB 0.25000 0.25000 0.25000 0.07750 0.03800 TiB 0.25000 0.25000 0.25000 0.23750 0.03800 FeC 0.00000 0.50000 0.00000 0.07660 0.04500 MnC 0.00000 0.50000 0.00000 0.07660 0.04500 MgC 0.00000 0.50000 0.00000 0.31160 0.04500 BaD 0.00000 0.00000 0.00000 0.73990 0.03200 ThD 0.00000 0.00000 0.00000 0.24000 0.03200 BaE 0.39100 0.25600 0.00000 0.12250 0.12800 CaE 0.39100 0.25600 0.00000 0.02580 0.12800 KE 0.39100 0.25600 0.00000 0.04420 0.12800 O1 0.20760 0.38990 0.30910 1.00000 0.03000 O2 0.34020 0.00000 0.00000 1.00000 0.03700 O3 0.10090 0.00000 0.17110 1.00000 0.02700 Wat41 0.38240 0.37710 0.00000 0.50000 0.03300 Wat42 0.35810 0.41750 0.00000 0.50000 0.02700 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 NbA 0.03650 0.03560 0.03710 0.00000 0.00000 -0.00160 TaA 0.03650 0.03560 0.03710 0.00000 0.00000 -0.00160 TiA 0.03650 0.03560 0.03710 0.00000 0.00000 -0.00160 ZrB 0.03830 0.03830 0.03830 -0.00180 -0.00180 -0.00180 ThB 0.03830 0.03830 0.03830 -0.00180 -0.00180 -0.00180 TiB 0.03830 0.03830 0.03830 -0.00180 -0.00180 -0.00180 FeC 0.05500 0.02100 0.06100 0.00000 0.00000 0.00000 MnC 0.05500 0.02100 0.06100 0.00000 0.00000 0.00000 MgC 0.05500 0.02100 0.06100 0.00000 0.00000 0.00000 BaD 0.03190 0.03190 0.03190 0.00000 0.00000 0.00000 ThD 0.03190 0.03190 0.03190 0.00000 0.00000 0.00000 BaE 0.06000 0.28000 0.04500 0.02500 0.00000 0.00000 CaE 0.06000 0.28000 0.04500 0.02500 0.00000 0.00000 KE 0.06000 0.28000 0.04500 0.02500 0.00000 0.00000 O1 0.03400 0.03000 0.02700 0.00000 -0.00400 0.00100 O2 0.03000 0.03600 0.04500 0.00000 0.00000 0.00000 O3 0.02200 0.02400 0.03700 0.00000 0.00100 0.00000