data_global
_chemical_name_mineral 'Palygorskite'
loop_
_publ_author_name
'Chiari G'
'Giustetto R'
'Ricchiardi G'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 15 
_journal_year 2003
_journal_page_first 21
_journal_page_last 33
_publ_section_title
;
 Crystal structure refinements of palygorskite and Maya Blue from molecular
 modeling and powder synchrotron diffraction
 Sample: OP
;
_database_code_amcsd 0006954
_chemical_formula_sum 'Si4 Mg2 (O15 H9)'
_cell_length_a 12.762
_cell_length_b 17.882
_cell_length_c 5.249
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1197.875
_exptl_crystal_density_diffrn      2.274
_symmetry_space_group_name_H-M 'P b m n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,z'
  'x,-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1   0.24000   0.08480   0.80900
Si2   0.20590   0.16670   0.32600
Mg2   0.00000   0.08400   0.50000
Mg3   0.00000   0.14800   0.00000
O-H   0.07600   0.00000   0.28800
O1   0.11300   0.09100   0.78000
O2   0.07900   0.16400   0.32100
Wat1   0.08600   0.23800   0.85600
O3   0.27500   0.00000   0.85200
O4   0.25000   0.25000   0.37800
O5   0.26800   0.11800   0.53300
O6   0.21900   0.14000   0.04100
WatZ1   0.00000   0.40600   0.50000
WatZ2   0.00000   0.42780   0.00000