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 'Sanbornite'
loop_
_publ_author_name
'Douglass R M'
_journal_name_full 'American Mineralogist'
_journal_volume 43
_journal_year 1958
_journal_page_first 517
_journal_page_last 536
_publ_section_title
;
 The crystal structure of sanbornite, BaSi2O5
;
_database_code_amcsd 85
_chemical_formula_sum 'Ba Si2 O5'
_cell_length_a 4.63
_cell_length_b 7.69
_cell_length_c 13.53
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 481.732
_exptl_crystal_density_diffrn  3.771
_symmetry_space_group_name_H-M 'P c m n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,y,1/2+z'
  '1/2+x,-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba   0.287  0.25  0.045
Si   0.363  0.05  0.317
O1   0.48  0.25  0.348
O2   0.146  0.06  0.22
O3   0.228  0.97  0.416