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 'Nepheline'
loop_
_publ_author_name
'Buerger M J'
'Klein G E'
'Donnay G'
_journal_name_full 'American Mineralogist'
_journal_volume 39
_journal_year 1954
_journal_page_first 805
_journal_page_last 818
_publ_section_title
;
 Determination of the crystal structure of nepheline
;
_database_code_amcsd 67
_chemical_formula_sum 'K Na3 Si4 Al4 O16'
_cell_length_a 10.01
_cell_length_b 10.01
_cell_length_c 8.405
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 729.351
_exptl_crystal_density_diffrn  2.661
_symmetry_space_group_name_H-M 'P 63'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x-y,x,1/2+z'
  '-y,x-y,z'
  '-x,-y,1/2+z'
  '-x+y,-x,z'
  'y,-x+y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K   0.0  0.0  0.0
Na   0.008  0.432  0.0
Si1   0.333333  0.666667  0.82
Al1   0.333333  0.666667  0.18
Si2   0.092  0.33  0.333333
Al2   0.092  0.33  0.666667
O1   0.333333  0.666667  0.0
O2   0.02  0.33  0.5
O3   0.18  0.5  0.75
O4   0.17  0.53  0.25
O5   0.23  0.28  0.25
O6   0.23  0.28  0.75
Download Results
File Link Crystal Site/File Type
feff_K4UO2CO33.cif_U3_L3.inp   U[0.5,0.69451,0.25]