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 0007074
_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 H5'
_cell_length_a 13.337
_cell_length_b 17.879
_cell_length_c 5.264
_cell_angle_alpha 90
_cell_angle_beta 105.27
_cell_angle_gamma 90
_cell_volume 1210.898
_exptl_crystal_density_diffrn      2.360
_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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
MgM2   0.00000   0.10100   0.50000   0.54000   0.21000
AlM2   0.00000   0.10100   0.50000   0.39000   0.21000
FeM2   0.00000   0.10100   0.50000   0.06000   0.21000
KM2   0.00000   0.10100   0.50000   0.01000   0.21000
MgM3   0.00000   0.20100   0.00000   0.54000   0.21000
AlM3   0.00000   0.20100   0.00000   0.39000   0.21000
FeM3   0.00000   0.20100   0.00000   0.06000   0.21000
KM3   0.00000   0.20100   0.00000   0.01000   0.21000
SiT1   0.19600   0.08890   0.15500   0.99000   0.38000
AlT1   0.19600   0.08890   0.15500   0.01000   0.38000
SiT2   0.21000   0.17720   0.64300   0.99000   0.38000
AlT2   0.21000   0.17720   0.64300   0.01000   0.38000
O-H   0.08300   0.00000   0.59000   1.00000   0.08800
O1   0.08400   0.11300   0.19800   1.00000   0.08800
O2   0.09400   0.18900   0.69100   1.00000   0.08800
Wat1   0.08900   0.29900   0.05500   1.00000   0.08800
O3   0.22200   0.00000   0.12300   1.00000   0.08800
O4   0.25000   0.25000   0.50000   1.00000   0.08800
O5   0.23700   0.10700   0.47100   1.00000   0.08800
O6   0.23900   0.13700   0.93500   1.00000   0.08800
OZW1   0.00000   0.29100   0.50000   0.50000   0.02600
DZW1*   0.98000   0.33000   0.36300   0.13000   0.02600
DZW1*   0.05100   0.31800   0.47000   0.37000   0.02600
OZW2   0.96300   0.41700   0.22300   0.50000   0.02600
DZW2*   0.08200   0.45800   0.82000   0.13000   0.02600
DZW2*   0.02800   0.43900   0.19000   0.13000   0.02600
DZW2*   0.05500   0.36900   0.69000   0.37000   0.02600
DZW2*   0.94700   0.45300   0.32100   0.37000   0.02600
OZW3   0.13400   0.50000   0.15000   1.00000   0.02600
DZW3*   0.18100   0.45500   0.17000   0.26000   0.02600
DZW3*   0.18000   0.50000   0.08100   0.74000   0.02600
DZW3*   0.09100   0.45800   0.07800   0.37000   0.02600