data_global
_chemical_name_mineral 'Palygorskite'
loop_
_publ_author_name
'Guistetto R'
'Chiari G'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 16 
_journal_year 2004
_journal_page_first 521
_journal_page_last 532
_publ_section_title
;
 Crystal structure refinement of palygorskite from neutron powder diffraction
 Note: Occupancies created to match reported formula
;
_database_code_amcsd 0007075
_chemical_compound_source 'Lorenzo Pech mine, near Ticul, on the way to Chapab, Chiapas, Mexico'
_chemical_formula_sum 'Mg1.08 Al.82 Fe.12 K.02 Si3.96 O15.5 D5.02 H5'
_cell_length_a 12.672
_cell_length_b 17.875
_cell_length_c 5.236
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1186.017
_exptl_crystal_density_diffrn      2.409
_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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
MgM2   0.00000   0.08680   0.50000   0.54000   0.61000
AlM2   0.00000   0.08680   0.50000   0.39000   0.61000
FeM2   0.00000   0.08680   0.50000   0.06000   0.61000
KM2   0.00000   0.08680   0.50000   0.01000   0.61000
MgM3   0.00000   0.17700   0.00000   0.54000   0.61000
AlM3   0.00000   0.17700   0.00000   0.39000   0.61000
FeM3   0.00000   0.17700   0.00000   0.06000   0.61000
KM3   0.00000   0.17700   0.00000   0.01000   0.61000
SiT1   0.23600   0.08610   0.78000   0.99000   0.05700
AlT1   0.23600   0.08610   0.78000   0.01000   0.05700
SiT2   0.21000   0.16630   0.31200   0.99000   0.05700
AlT2   0.21000   0.16630   0.31200   0.01000   0.05700
O-H   0.06000   0.00000   0.27700   1.00000   0.04200
O1   0.10900   0.10400   0.78500   1.00000   0.04200
O2   0.08200   0.17150   0.34100   1.00000   0.04200
Wat1   0.07900   0.27200   0.87800   1.00000   0.04200
O3   0.27500   0.00000   0.82700   1.00000   0.04200
O4   0.25000   0.25000   0.22900   1.00000   0.04200
O5   0.28400   0.13720   0.54800   1.00000   0.04200
O6   0.21400   0.10560   0.07900   1.00000   0.04200
OZW2   0.06400   0.36500   0.21600   0.50000   0.00800
DZW2*   0.08100   0.41100   0.26000   0.33000   0.00800
DZW2*   0.91500   0.37800   0.98000   0.33000   0.00800
DZW2*   0.14000   0.35200   0.26000   0.17000   0.00800
DZW2*   0.95900   0.31900   0.85000   0.17000   0.00800
OZW3   0.14800   0.50000   0.33300   1.00000   0.00800
DZW3*   0.19800   0.46000   0.25800   0.66000   0.00800
DZW3*   0.18500   0.50000   0.49200   0.35000   0.00800
DZW3*   0.20800   0.50000   0.21000   0.35000   0.00800
OZW4   0.00000   0.48700   0.00000   0.50000   0.00800
DZW4*   0.04300   0.48900   0.12200   0.25000   0.00800
DZW4*   0.01300   0.44400   0.07000   0.25000   0.00800