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 'Eucryptite'
loop_
_publ_author_name
'Pillars W W'
'Peacor D R'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 681
_journal_page_last 690
_publ_section_title
;
 The crystal structure of beta eucryptite as a function of temperature
 T = 484 C
;
_database_code_amcsd 380
_chemical_formula_sum 'Si Al Li O4'
_cell_length_a 5.251
_cell_length_b 5.251
_cell_length_c 11.192
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 267.253
_exptl_crystal_density_diffrn  2.349
_symmetry_space_group_name_H-M 'P 64 2 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,x-y,2/3-z'
  'x-y,x,2/3+z'
  'y,x,1/3-z'
  '-y,x-y,1/3+z'
  '-x+y,y,-z'
  '-x,-y,z'
  '-x,-x+y,2/3-z'
  '-x+y,-x,2/3+z'
  '-y,-x,1/3-z'
  'y,-x+y,1/3+z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si   0.5  0.0  0.0  0.01254
Al   0.5  0.0  0.5  0.01191
Li   0.0  0.0  0.0  0.08992
O   0.2105  0.4046  0.7456  0.0304