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 'Sanidine'
loop_
_publ_author_name
'Phillips M W'
'Ribbe P H'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 263
_journal_page_last 270
_publ_section_title
;
 The structures of monoclinic potassium-rich feldspars
;
_database_code_amcsd 312
_chemical_compound_source 'Laacher See, Eifel District, Germany'
_chemical_formula_sum '(Si3 Al) (K.85 Na.15) O8'
_cell_length_a 8.539
_cell_length_b 13.015
_cell_length_c 7.179
_cell_angle_alpha 90.0
_cell_angle_beta 115.99
_cell_angle_gamma 90.0
_cell_volume 717.154
_exptl_crystal_density_diffrn  2.555
_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
Si1   0.0094  0.1843  0.2239  0.71
Al1   0.0094  0.1843  0.2239  0.29
Si2   0.7079  0.1177  0.3444  0.79
Al2   0.7079  0.1177  0.3444  0.21
K   0.2839  0.0  0.1366  0.85
Na   0.2839  0.0  0.1366  0.15
OA(1)   0.0  0.1461  0.0  1.0
OA(2)   0.633  0.0  0.2851  1.0
OB   0.8276  0.1453  0.2256  1.0
OC   0.033  0.3103  0.2572  1.0
OD   0.1813  0.1265  0.4038  1.0
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si1   0.00925  0.00944  0.00781  -0.00202  0.00351  -0.00085
Al1   0.00925  0.00944  0.00781  -0.00202  0.00351  -0.00085
Si2   0.00836  0.00687  0.00844  -0.00051  0.00301  -0.00043
Al2   0.00836  0.00687  0.00844  -0.00051  0.00301  -0.00043
K   0.0191  0.03089  0.02764  0.0  0.00728  0.0
Na   0.0191  0.03089  0.02764  0.0  0.00728  0.0
OA(1)   0.02567  0.0163  0.01856  0.0  0.01129  0.0
OA(2)   0.0197  0.01116  0.02067  0.0  0.00401  0.0
OB   0.02089  0.02832  0.02489  -0.00405  0.01305  0.00043
OC   0.01582  0.01459  0.0192  -0.00253  0.00552  -0.00255
OD   0.0197  0.01802  0.01603  0.00101  0.00452  0.00085
Download Results
File Link Crystal Site/File Type
feff_K4UO2CO33.cif_U3_L3.inp   U[0.5,0.69451,0.25]