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 'Cheralite'
loop_
_publ_author_name
'Finney J J'
'Rao N N'
_journal_name_full 'American Mineralogist'
_journal_volume 52
_journal_year 1967
_journal_page_first 13
_journal_page_last 19
_publ_section_title
;
 The crystal structure of cheralite
;
_database_code_amcsd 152
_chemical_formula_sum '(Ce.15 La.14 Th.33 Ca.32 Pb.01 U.05) (P.96 Si.04) O4'
_cell_length_a 6.717
_cell_length_b 6.92
_cell_length_c 6.434
_cell_angle_alpha 90.0
_cell_angle_beta 103.83
_cell_angle_gamma 90.0
_cell_volume 290.393
_exptl_crystal_density_diffrn  5.46
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ce   0.2198  0.1596  0.3991  0.15  0.01368
La   0.2198  0.1596  0.3991  0.14  0.01368
Th   0.2198  0.1596  0.3991  0.33  0.01368
Ca   0.2198  0.1596  0.3991  0.32  0.01368
Pb   0.2198  0.1596  0.3991  0.01  0.01368
U   0.2198  0.1596  0.3991  0.05  0.01368
P   0.196  0.163  0.8858  0.96  0.01051
Si   0.196  0.163  0.8858  0.04  0.01051
O1   0.2473  0.5064  0.4426  1.0  0.03242
O2   0.0238  0.1044  0.6906  1.0  0.0233
O3   0.374  0.2221  0.7898  1.0  0.01976
O4   0.1114  0.3337  -0.0011  1.0  0.02444
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]