data_global _chemical_name_mineral 'Carlosbarbosaite' loop_ _publ_author_name 'Atencio D' 'Roberts A C' 'Cooper M A' 'Menezes L A D' 'Coutinho J M V' 'Stirling J A R' 'Venance K E' 'Ball N A' 'Moffatt E' 'Chaves M L S C' 'Brandao P R G' 'Romano A W' _journal_name_full 'Mineralogical Magazine' _journal_volume 76 _journal_year 2012 _journal_page_first 75 _journal_page_last 90 _publ_section_title ; Carlosbarbosaite, ideally (UO2)2Nb2O6(OH)2*2H2O, a new hydrated uranyl niobate mineral with tunnels from Jaguaracu, Minas Gerais, Brazil: description and crystal structure ; _database_code_amcsd 0018664 _chemical_compound_source 'Jaguaracu, Minas Gerais, Brazil' _chemical_formula_sum 'U1.44 (Nb.8 Ta.52 Si.26 Ti.22 Al.1 Fe.1) Ca.28 Nd.02 Ce.02 O14 H6' _cell_length_a 14.150 _cell_length_b 10.395 _cell_length_c 7.529 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1107.435 _exptl_crystal_density_diffrn 4.704 _symmetry_space_group_name_H-M 'C m c m' 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' '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 U 0.26634 0.27203 0.25000 0.72000 0.03430 Nb 0.38296 0.50000 0.00000 0.40000 0.02810 Ta 0.38296 0.50000 0.00000 0.26000 0.02810 Si 0.38296 0.50000 0.00000 0.13000 0.02810 Ti 0.38296 0.50000 0.00000 0.11000 0.02810 Al 0.38296 0.50000 0.00000 0.05000 0.02810 Fe 0.38296 0.50000 0.00000 0.05000 0.02810 Ca 0.50000 0.01270 0.25000 0.28000 0.05700 Nd 0.50000 0.01270 0.25000 0.02000 0.05700 Ce 0.50000 0.01270 0.25000 0.02000 0.05700 O(1) 0.36220 0.17090 0.25000 1.00000 0.06100 O(2) 0.16330 0.37800 0.25000 1.00000 0.04700 O(3) 0.30200 0.35710 -0.03980 1.00000 0.03500 O(4) 0.37580 0.44710 0.25000 1.00000 0.02600 O-H 0.50000 0.61060 0.05470 1.00000 0.03300 Wat 0.50000 0.12600 -0.02200 1.00000 0.09600 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 U 0.02790 0.05070 0.02440 -0.01150 0.00000 0.00000 Nb 0.01330 0.04430 0.02670 0.00000 0.00000 -0.00010 Ta 0.01330 0.04430 0.02670 0.00000 0.00000 -0.00010 Si 0.01330 0.04430 0.02670 0.00000 0.00000 -0.00010 Ti 0.01330 0.04430 0.02670 0.00000 0.00000 -0.00010 Al 0.01330 0.04430 0.02670 0.00000 0.00000 -0.00010 Fe 0.01330 0.04430 0.02670 0.00000 0.00000 -0.00010 Ca 0.05500 0.05100 0.06600 0.00000 0.00000 0.00000 Nd 0.05500 0.05100 0.06600 0.00000 0.00000 0.00000 Ce 0.05500 0.05100 0.06600 0.00000 0.00000 0.00000 O(1) 0.09700 0.06200 0.02300 -0.04700 0.00000 0.00000 O(2) 0.04800 0.05800 0.03500 0.00000 0.00000 0.00000 O(3) 0.02600 0.05200 0.02700 -0.01500 -0.00300 0.00800 O(4) 0.02200 0.04200 0.01500 -0.00100 0.00000 0.00000 O-H 0.02700 0.05100 0.02200 0.00000 0.00000 0.00300 Wat 0.12000 0.10000 0.07500 0.00000 0.00000 -0.00100