data_global
_chemical_name_mineral 'Almeidaite'
loop_
_publ_author_name
'Kastsvetaeva R K'
'Aksenov S M'
'Chukanov N V'
'Menezes L A D'
_journal_name_full 'Doklady Chemistry'
_journal_volume 455 
_journal_year 2014
_journal_page_first 53
_journal_page_last 57
_publ_section_title
;
 Crystal structure of almeidaite, a new mineral of the crichtonite group
;
_database_code_amcsd 0020510
_chemical_compound_source 'Novo Horizonte, Bahia, Brazil'
_chemical_formula_sum 'Pb.6 Sr.1 Mn.8 Y.4 Zn1.5 Fe4.9 Ti13.4 O38 H.82'
_cell_length_a 10.4359
_cell_length_b 10.4359
_cell_length_c 21.0471
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1985.101
_exptl_crystal_density_diffrn      4.604
_symmetry_space_group_name_H-M 'R -3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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
Pb1   0.00000   0.00000   0.00000   0.60000   0.04950
Sr1   0.00000   0.00000   0.00000   0.10000   0.04950
Mn1  -0.66667  -0.33333   0.16667   0.60000   0.01000
Y1  -0.66667  -0.33333   0.16667   0.40000   0.01000
Zn1   0.00000   0.00000   0.30930   0.75000   0.00980
Fe1  -0.14570   0.03790   0.16550   0.73330   0.01060
Ti1  -0.14570   0.03790   0.16550   0.23330   0.01060
Mn2  -0.14570   0.03790   0.16550   0.03330   0.01060
Ti2  -0.42290  -0.01370   0.06560   1.00000   0.00980
Ti3   0.08820   0.33790   0.05890   1.00000   0.01090
Fe2   0.00000   0.00000   0.36810   0.25000   0.02100
O1  -0.30750  -0.07550   0.22640   1.00000   0.00780
O2  -0.30000  -0.06480   0.00640   1.00000   0.01110
O3  -0.25820   0.10520   0.11640   1.00000   0.00870
O4   0.04590   0.17350   0.10980   1.00000   0.00880
O5  -0.47850  -0.20090   0.10290   1.00000   0.01200
O6   0.05170   0.19740   0.33610   1.00000   0.00980
O7   0.00000   0.00000   0.21500   0.59000   0.00910
O-H7   0.00000   0.00000   0.21500   0.41000   0.00910