data_global
_amcsd_formula_title 'Sb8O11Cl2*6H2O'
loop_
_publ_author_name
'Menchetti S'
'Sabelli C'
'Trosti-Ferroni R'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 40 
_journal_year 1984
_journal_page_first 1506
_journal_page_last 1510
_publ_section_title
;
 The structures of onoratoite, Sb8O11Cl2 and Sb8O11Cl2*6H2O
 Note: anisoB's from ICSD
;
_database_code_amcsd 0009997
_chemical_formula_sum 'Sb4 O8.54 Cl H6.04'
_cell_length_a 9.618
_cell_length_b 13.148
_cell_length_c 4.078
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 515.694
_exptl_crystal_density_diffrn      4.284
_symmetry_space_group_name_H-M 'I m m m'
loop_
_space_group_symop_operation_xyz
  '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'
  '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'
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
Sb   0.18377   0.15356   0.00000   1.00000   0.03128
O1   0.27980   0.29140   0.00000   0.88000   0.05231
O2   0.00000   0.21780   0.00000   1.00000   0.02951
Cl   0.50000   0.50000   0.00000   1.00000   0.05649
Wat3   0.00000   0.39900   0.36400   0.50000   0.17693
Wat4   0.00000   0.43100   0.00000   0.51000   0.18972
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
Sb 0.02062 0.04116 0.03176 0.00256 0.00000 0.00000
O1 0.02578 0.04379 0.08678 -0.00256 0.00000 0.00000
O2 0.01781 0.04992 0.02131 0.00000 0.00000 0.00000
Cl 0.07826 0.04729 0.04373 0.00000 0.00000 0.00000
Wat3 0.17574 0.25748 0.09773 0.00000 0.00000 -0.06791
Wat4 0.11201 0.19792 0.25949 0.00000 0.00000 0.00000