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 'Cobalt'
loop_
_publ_author_name
'Krainer E'
'Robitsch J'
_journal_name_full 'Zeitschrift fur Metallkunde'
_journal_volume 61
_journal_year 1970
_journal_page_first 350
_journal_page_last 354
_publ_section_title
;
 Nachweis einer neuen phase bei der funkenerosiven behandlung von kobalt
;
_database_code_amcsd 15831
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Co23'
_cell_length_a 8.288
_cell_length_b 8.288
_cell_length_c 10.542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 627.124
_exptl_crystal_density_diffrn  7.178
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Co1   0.0  0.0  0.1185
Co2   0.0  0.0  0.3814
Co3   0.333333  0.666667  0.943
Co4   0.333333  0.666667  0.6682
Co5   0.333333  0.666667  0.3948
Co6   0.156  0.844  0.986
Co7   0.8154  0.1846  0.019
Co8   0.194  0.806  0.251
Co9   0.8552  0.1448  0.25
Co10   0.4924  0.5076  0.0427
Co11   0.526  0.474  0.3056