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 'Thorite'
loop_
_publ_author_name
'Fuchs L H'
'Gebert E'
_journal_name_full 'American Mineralogist'
_journal_volume 43
_journal_year 1958
_journal_page_first 243
_journal_page_last 248
_publ_section_title
;
 X-ray studies of synthetic coffinite, thorite and uranothorites
;
_database_code_amcsd 84
_chemical_formula_sum 'Th Si O4'
_cell_length_a 7.142
_cell_length_b 7.142
_cell_length_c 6.327
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 322.729
_exptl_crystal_density_diffrn  6.671
_symmetry_space_group_name_H-M 'I 41/a m d '
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,1/2-x,1/4+z'
  '1/2-y,-x,3/4+z'
  '1/2+y,1/2+x,1/2-z'
  '+y,+x,-z'
  '1/2+y,1/2-x,1/2-z'
  '+y,-x,-z'
  '-y,1/2+x,1/4+z'
  '1/2-y,+x,3/4+z'
  '1/2+x,1/2-y,1/2+z'
  '+x,-y,+z'
  '1/2-x,y,3/4-z'
  '-x,1/2+y,1/4-z'
  '1/2+x,y,3/4-z'
  '+x,1/2+y,1/4-z'
  '1/2-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2+y,x,3/4+z'
  '+y,1/2+x,1/4+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  '1/2+y,-x,3/4+z'
  '+y,1/2-x,1/4+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,1/2-y,1/4-z'
  '1/2+x,-y,3/4-z'
  '-x,1/2-y,1/4-z'
  '1/2-x,-y,3/4-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Th   0.0  0.0  0.0
Si   0.0  0.0  0.5
O   0.0  0.166  0.347
Download Results
File Link Crystal Site/File Type
feff_K4UO2CO33.cif_U3_L3.inp   U[0.5,0.69451,0.25]