Larixite: Crystal Structures for X-ray Absorption Spectroscopy About

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

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CIF Text:


data_global
_chemical_name_mineral 'Glaucophane'
loop_
_publ_author_name
'Papike J J'
'Clark J R'
_journal_name_full 'American Mineralogist'
_journal_volume 53
_journal_year 1968
_journal_page_first 1156
_journal_page_last 1173
_publ_section_title
;
 The crystal structure and cation distribution of glaucophane
;
_database_code_amcsd 182
_chemical_formula_sum 'Mg2.39 Fe.79 Al1.82 (Na1.96 Ca.04) Si8 O24 H2'
_cell_length_a 9.541
_cell_length_b 17.74
_cell_length_c 5.295
_cell_angle_alpha 90.0
_cell_angle_beta 103.67
_cell_angle_gamma 90.0
_cell_volume 870.831
_exptl_crystal_density_diffrn  3.084
_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
Mg1   0.0  0.0908  0.5  0.84  0.00481
Fe1   0.0  0.0908  0.5  0.16  0.00481
Al2   0.0  0.1807  0.0  0.91  0.00329
Fe2   0.0  0.1807  0.0  0.09  0.00329
Mg3   0.0  0.0  0.0  0.71  0.00304
Fe3   0.0  0.0  0.0  0.29  0.00304
Na4   0.0  0.2772  0.5  0.98  0.01013
Ca4   0.0  0.2772  0.5  0.02  0.01013
Si1   0.2831  0.0871  0.2931  1.0  0.00393
Si2   0.292  0.173  0.8087  1.0  0.00367
O1   0.1092  0.0927  0.2037  1.0  0.00633
O2   0.1177  0.1714  0.748  1.0  0.00633
O-H3   0.1126  0.0  0.7088  1.0  0.00823
O4   0.3679  0.2529  0.8058  1.0  0.00773
O5   0.3548  0.1318  0.0893  1.0  0.00811
O6   0.3407  0.1224  0.5814  1.0  0.00861
O7   0.3317  0.0  0.3018  1.0  0.00836
Download Results
File Link Crystal Site/File Type
feff_K4UO2CO33.cif_U3_L3.inp   U[0.5,0.69451,0.25]