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