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