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: MP
;
_database_code_amcsd 0006953
_chemical_formula_sum 'Si4 Mg2 (O15 H9)'
_cell_length_a 13.304
_cell_length_b 17.876
_cell_length_c 5.251
_cell_angle_alpha 90
_cell_angle_beta 107.01
_cell_angle_gamma 90
_cell_volume 1194.174
_exptl_crystal_density_diffrn      2.281
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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
Si1   0.18500   0.08170   0.06900
Si2   0.20900   0.16730   0.58700
Mg2   0.00000   0.08600   0.50000
Mg3   0.00000   0.20700   0.00000
O-H   0.09200   0.00000   0.52000
O1   0.06900   0.09900   0.11700
O2   0.09200   0.17400   0.64000
Wat1   0.07800   0.31200  -0.04000
O3   0.22500   0.00000   0.00600
O4   0.25000   0.25000   0.50000
O5   0.23800   0.10600   0.38300
O6   0.24700   0.12600   0.88200
WatZ1   0.00000   0.34900   0.50000
WatZ2   0.00000   0.42100   0.00000