Larixite: Crystal Structures for X-ray Absorption Spectroscopy About

Search the American Mineralogist Crystal Structures
(example: hem*)
(example: O, Fe, Si)

Generate XAS Input File

CIF Text:


data_global
_chemical_name_mineral 'Pyrophyllite'
loop_
_publ_author_name
'Wardle R'
'Brindley G W'
_journal_name_full 'American Mineralogist'
_journal_volume 57
_journal_year 1972
_journal_page_first 732
_journal_page_last 750
_publ_section_title
;
 The crystal structures of pyrophyllite, 1Tc, and of its dehydroxylate
;
_database_code_amcsd 285
_chemical_formula_sum 'Al Si2 O6 H'
_cell_length_a 5.1614
_cell_length_b 8.9576
_cell_length_c 9.3511
_cell_angle_alpha 91.03
_cell_angle_beta 100.37
_cell_angle_gamma 89.75
_cell_volume 425.206
_exptl_crystal_density_diffrn  2.814
_symmetry_space_group_name_H-M 'C -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'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al   0.5  0.167  0.0
Si1   0.748  0.0  0.289
Si2   0.759  0.331  0.289
O1   0.671  0.004  0.113
O2   0.721  0.319  0.113
O-H   0.221  0.186  0.113
Ob1   0.055  0.387  0.353
Ob2   0.724  0.167  0.353
Ob3   0.55  0.448  0.336