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 'Claudetite'
loop_
_publ_author_name
'Frueh A J'
_journal_name_full 'American Mineralogist'
_journal_volume 36
_journal_year 1951
_journal_page_first 833
_journal_page_last 850
_publ_section_title
;
 The crystal structure of claudetite (monoclinic As2O3)
;
_database_code_amcsd 53
_chemical_formula_sum 'As2 O3'
_cell_length_a 5.25
_cell_length_b 12.87
_cell_length_c 4.54
_cell_angle_alpha 90.0
_cell_angle_beta 93.82
_cell_angle_gamma 90.0
_cell_volume 306.075
_exptl_crystal_density_diffrn  4.293
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
As1   0.258  0.102  0.04
As2   0.363  0.352  0.007
O1   0.45  0.22  0.03
O2   0.62  0.41  0.18
O3   0.95  0.16  0.13