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 'Feldspar'
loop_
_publ_author_name
'Grundy H D'
'Ito J'
_journal_name_full 'American Mineralogist'
_journal_volume 59
_journal_year 1974
_journal_page_first 1319
_journal_page_last 1326
_publ_section_title
;
 The refinement of the crystal structure of a synthetic non-stoichiometric Sr
 feldspar
;
_database_code_amcsd 436
_chemical_formula_sum '(Si2.26 Al1.74) Sr.84 Na.03 O8'
_cell_length_a 8.3282
_cell_length_b 12.9801
_cell_length_c 7.1358
_cell_angle_alpha 90.0
_cell_angle_beta 115.599
_cell_angle_gamma 90.0
_cell_volume 695.667
_exptl_crystal_density_diffrn  2.986
_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   0.0054  0.1772  0.2237  0.52
Al1   0.0054  0.1772  0.2237  0.48
Si2   0.6908  0.1166  0.3414  0.61
Al2   0.6908  0.1166  0.3414  0.39
Sr   0.2696  0.0  0.1306  0.84
Na   0.2696  0.0  0.1306  0.03
OA(1)   0.0  0.1329  0.0  1.0
OA(2)   0.5951  0.0  0.2843  1.0
OB   0.8201  0.1298  0.2212  1.0
OC   0.0193  0.3052  0.2518  1.0
OD   0.1907  0.1227  0.4025  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   0.01129  0.01041  0.00711  -0.00341  0.0048  -0.00063
Al1   0.01129  0.01041  0.00711  -0.00341  0.0048  -0.00063
Si2   0.01106  0.00794  0.00799  -5e-05  0.00323  -0.00076
Al2   0.01106  0.00794  0.00799  -5e-05  0.00323  -0.00076
Sr   0.01743  0.0344  0.02195  0.0  0.00455  0.0
Na   0.01743  0.0344  0.02195  0.0  0.00455  0.0
OA(1)   0.02112  0.01357  0.01175  0.0  0.01016  0.0
OA(2)   0.0092  0.0064  0.02027  0.0  0.00042  0.0
OB   0.02092  0.01844  0.02325  -0.00025  0.01288  0.00474
OC   0.019  0.01451  0.02096  -0.00193  0.00857  0.00021
OD   0.01889  0.02526  0.01385  0.00035  0.00443  0.00292
Download Results
File Link Crystal Site/File Type
feff_K4UO2CO33.cif_U3_L3.inp   U[0.5,0.69451,0.25]