Larixite: Crystal Structures for X-ray Absorption Spectroscopy About

Select a Structure File
Co: Cobalt
    Acta Crystallographica 1950
Co: Cobalt
    Acta Crystallographica 1950
Co: Cobalt
    Crystal Structures 1963
Co: Cobalt
    Crystal Structures 1963
Co: Cobalt
    Physical Review 1936
Co: Cobalt
    Physical Review 1936
Co: Cobalt
    Physical Review 1936
Co: Cobalt
    Physical Review 1936
Co: Cobalt
    Physical Review 1936
Co: Cobalt
    Physical Review 1936
Co: Cobalt
    Physical Review 1936
Co: Cobalt
    Physical Review 1936
Co: Cobalt
    Physical Review 1936
Co: Cobalt
    Physical Review 1936
Co: Cobalt
    Physical Review 1936
Co: Cobalt
    Physical Review 1936
Co: Cobalt
    Proceedings of the Physical Society of London 1954
Co: Cobalt
    Proceedings of the Physical Society of London 1954
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co: Cobalt
    Zeitschrift fur Angewandte Physik 1967
Co23: Cobalt
    Zeitschrift fur Metallkunde 1970
Search the American Mineralogist Crystal Structures
(example: hem*)
(example: O, Fe, Si)

Generate XAS Input File

CIF Text:


data_global
_chemical_name_mineral 'Colusite'
loop_
_publ_author_name
'Zachariasen W H'
_journal_name_full 'American Mineralogist'
_journal_volume 18
_journal_year 1933
_journal_page_first 534
_journal_page_last 537
_publ_section_title
;
 X-Ray examination of colusite, (Cu,Fe,Mo,Sn)4(S,As,Te)3-4
;
_database_code_amcsd 11
_chemical_compound_source 'Leonard mine, Butte, Montana, USA'
_chemical_formula_sum 'Cu.53 Fe.31 Zn.01 Sn.05 Mo.09 S.71 As.03 Te.02 Sb.01'
_cell_length_a 5.304
_cell_length_b 5.304
_cell_length_c 5.304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 149.214
_exptl_crystal_density_diffrn  4.229
_symmetry_space_group_name_H-M 'F -4 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '-z,x,-y'
  '-z,1/2+x,1/2-y'
  '1/2-z,x,1/2-y'
  '1/2-z,1/2+x,-y'
  '-y,z,-x'
  '-y,1/2+z,1/2-x'
  '1/2-y,z,1/2-x'
  '1/2-y,1/2+z,-x'
  '-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,y,1/2-z'
  '1/2-x,1/2+y,-z'
  'x,-z,-y'
  'x,1/2-z,1/2-y'
  '1/2+x,-z,1/2-y'
  '1/2+x,1/2-z,-y'
  'z,-y,-x'
  'z,1/2-y,1/2-x'
  '1/2+z,-y,1/2-x'
  '1/2+z,1/2-y,-x'
  'y,-x,-z'
  'y,1/2-x,1/2-z'
  '1/2+y,-x,1/2-z'
  '1/2+y,1/2-x,-z'
  'x,z,y'
  'x,1/2+z,1/2+y'
  '1/2+x,z,1/2+y'
  '1/2+x,1/2+z,y'
  'z,y,x'
  'z,1/2+y,1/2+x'
  '1/2+z,y,1/2+x'
  '1/2+z,1/2+y,x'
  'y,x,z'
  'y,1/2+x,1/2+z'
  '1/2+y,x,1/2+z'
  '1/2+y,1/2+x,z'
  '-z,-x,y'
  '-z,1/2-x,1/2+y'
  '1/2-z,-x,1/2+y'
  '1/2-z,1/2-x,y'
  '-y,-z,x'
  '-y,1/2-z,1/2+x'
  '1/2-y,-z,1/2+x'
  '1/2-y,1/2-z,x'
  '-x,-y,z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '1/2-x,1/2-y,z'
  'z,-x,-y'
  'z,1/2-x,1/2-y'
  '1/2+z,-x,1/2-y'
  '1/2+z,1/2-x,-y'
  'y,-z,-x'
  'y,1/2-z,1/2-x'
  '1/2+y,-z,1/2-x'
  '1/2+y,1/2-z,-x'
  'x,-y,-z'
  'x,1/2-y,1/2-z'
  '1/2+x,-y,1/2-z'
  '1/2+x,1/2-y,-z'
  '-x,z,-y'
  '-x,1/2+z,1/2-y'
  '1/2-x,z,1/2-y'
  '1/2-x,1/2+z,-y'
  '-z,y,-x'
  '-z,1/2+y,1/2-x'
  '1/2-z,y,1/2-x'
  '1/2-z,1/2+y,-x'
  '-y,x,-z'
  '-y,1/2+x,1/2-z'
  '1/2-y,x,1/2-z'
  '1/2-y,1/2+x,-z'
  '-x,-z,y'
  '-x,1/2-z,1/2+y'
  '1/2-x,-z,1/2+y'
  '1/2-x,1/2-z,y'
  '-z,-y,x'
  '-z,1/2-y,1/2+x'
  '1/2-z,-y,1/2+x'
  '1/2-z,1/2-y,x'
  '-y,-x,z'
  '-y,1/2-x,1/2+z'
  '1/2-y,-x,1/2+z'
  '1/2-y,1/2-x,z'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu   0.0  0.0  0.0  0.53
Fe   0.0  0.0  0.0  0.31
Zn   0.0  0.0  0.0  0.01
Sn   0.0  0.0  0.0  0.05
Mo   0.0  0.0  0.0  0.09
S   0.25  0.25  0.25  0.71
As   0.25  0.25  0.25  0.03
Te   0.25  0.25  0.25  0.02
Sb   0.25  0.25  0.25  0.01
Download Results
File Link Crystal Site/File Type
AMSCD_9140_feff.zip   Zip File, all outputs
feff_9140_Co1_K.inp   Co[0.333333,0.666667,0.25]