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 'Microcline'
loop_
_publ_author_name
'Bailey S W'
_journal_name_full 'American Mineralogist'
_journal_volume 54
_journal_year 1969
_journal_page_first 1540
_journal_page_last 1545
_publ_section_title
;
 Refinement of an intermediate microcline structure
;
_database_code_amcsd 194
_chemical_formula_sum 'K (Al.93 Si3.07) O8'
_cell_length_a 8.5784
_cell_length_b 12.96
_cell_length_c 7.2112
_cell_angle_alpha 90.3
_cell_angle_beta 116.03
_cell_angle_gamma 89.125
_cell_volume 720.306
_exptl_crystal_density_diffrn  2.567
_symmetry_space_group_name_H-M 'C -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'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K   0.2837  -0.0032  0.1378  1.0
Al1o   0.0095  0.1856  0.2214  0.6
Si1o   0.0095  0.1856  0.2214  0.4
Si1m   0.0095  0.8173  0.228  0.77
Al1m   0.0095  0.8173  0.228  0.23
Si2o   0.7098  0.1189  0.3421  0.94
Al2o   0.7098  0.1189  0.3421  0.06
Si2m   0.7076  0.8833  0.3466  0.96
Al2m   0.7076  0.8833  0.3466  0.04
OA1   -0.0005  0.1447  -0.0072  1.0
OA2   0.6369  0.002  0.2857  1.0
OBo   0.8238  0.1468  0.2239  1.0
OBm   0.8279  0.8545  0.2331  1.0
OCo   0.035  0.3153  0.2549  1.0
OCm   0.0366  0.6914  0.2635  1.0
ODo   0.1842  0.1245  0.4065  1.0
ODm   0.1777  0.8741  0.4095  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
K   0.01518  0.02205  0.01738  -0.00042  0.00486  -0.00062
Al1o   0.00822  0.00637  0.00247  -0.00222  0.00349  -0.00088
Si1o   0.00822  0.00637  0.00247  -0.00222  0.00349  -0.00088
Si1m   0.0076  0.00672  0.00247  0.00166  0.00298  0.00145
Al1m   0.0076  0.00672  0.00247  0.00166  0.00298  0.00145
Si2o   0.00858  0.00307  0.00317  -0.00063  0.00268  0.00136
Al2o   0.00858  0.00307  0.00317  -0.00063  0.00268  0.00136
Si2m   0.0076  0.00436  0.00348  -0.00035  0.00268  0.00014
Al2m   0.0076  0.00436  0.00348  -0.00035  0.00268  0.00014
OA1   0.02074  0.01427  0.01168  -6e-05  0.00887  0.00082
OA2   0.01556  0.01085  0.00528  -0.00105  0.00016  -0.00172
OBo   0.0186  0.02123  0.0179  -0.00279  0.01373  0.00282
OBm   0.01769  0.01983  0.01864  -0.00108  0.01421  -0.00168
OCo   0.01091  0.01288  0.00827  -0.00352  0.00253  -0.00341
OCm   0.00995  0.0117  0.01278  0.00498  0.00286  0.00185
ODo   0.01872  0.01085  0.00721  0.00014  0.00295  0.00411
ODm   0.01918  0.00916  0.00725  -0.0005  0.00303  0.00052
Download Results
File Link Crystal Site/File Type
feff_K4UO2CO33.cif_U3_L3.inp   U[0.5,0.69451,0.25]