Larixite: Crystal Structures for X-ray Absorption Spectroscopy About

Select a Structure File
Pt: Platinum
    Crystal Structures 1963
Pt: Platinum
    Philosophical Magazine 1933
Pt: Platinum
    Physical Review 1925
Pt: Platinum
    Zeitschrift fur Physikalische Chemie 1927
Pt: Platinum
    Zeitschrift fur Physikalische Chemie 1926
Pt: Platinum
    Physical Review 1921
Pt: Platinum
    Physical Review 1921
Pt: Platinum
    Physical Review 1925
Pt: Platinum
    Zeitschrift fur Physik 1923
Search the American Mineralogist Crystal Structures
(example: hem*)
(example: O, Fe, Si)

Generate XAS Input File

CIF Text:


data_global
_amcsd_formula_title 'SiC-19H'
loop_
_publ_author_name
'Ramsdell L S'
'Mitchell R S'
_journal_name_full 'American Mineralogist'
_journal_volume 38
_journal_year 1953
_journal_page_first 56
_journal_page_last 59
_publ_section_title
;
 A new hexagonal polymorph of silicon carbide, 19H
;
_database_code_amcsd 56
_chemical_formula_sum 'Si19 C19'
_cell_length_a 3.079
_cell_length_b 3.079
_cell_length_c 47.849
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 392.846
_exptl_crystal_density_diffrn  3.22
_symmetry_space_group_name_H-M 'P 3 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  '-y,x-y,z'
  'x,x-y,z'
  '-x+y,-x,z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si   0.0  0.0  0.0
Si   0.0  0.0  0.105
Si   0.0  0.0  0.211
Si   0.0  0.0  0.421
Si   0.0  0.0  0.579
Si   0.0  0.0  0.789
Si   0.0  0.0  0.895
Si   0.333333  0.666667  0.053
Si   0.333333  0.666667  0.263
Si   0.333333  0.666667  0.368
Si   0.333333  0.666667  0.474
Si   0.333333  0.666667  0.684
Si   0.333333  0.666667  0.842
Si   0.666667  0.333333  0.158
Si   0.666667  0.333333  0.316
Si   0.666667  0.333333  0.526
Si   0.666667  0.333333  0.632
Si   0.666667  0.333333  0.737
Si   0.666667  0.333333  0.947
C   0.0  0.0  0.039
C   0.0  0.0  0.145
C   0.0  0.0  0.25
C   0.0  0.0  0.461
C   0.0  0.0  0.618
C   0.0  0.0  0.829
C   0.0  0.0  0.934
C   0.333333  0.666667  0.092
C   0.333333  0.666667  0.303
C   0.333333  0.666667  0.408
C   0.333333  0.666667  0.513
C   0.333333  0.666667  0.724
C   0.333333  0.666667  0.882
C   0.666667  0.333333  0.197
C   0.666667  0.333333  0.355
C   0.666667  0.333333  0.566
C   0.666667  0.333333  0.671
C   0.666667  0.333333  0.776
C   0.666667  0.333333  0.987
Download Results
File Link Crystal Site/File Type
feff_tetrametallic_cubane_1420428_upd.cif_Cu1_K.inp   Cu[0.90315,0.22185,0.14379]
feff_tetrametallic_cubane_1420428_upd.cif_Cu2_K.inp   Cu[0.87151,0.16407,0.26933]
feff_tetrametallic_cubane_1420428_upd.cif_Cu3_K.inp   Cu[0.12974,0.28553,0.2647]
feff_tetrametallic_cubane_1420428_upd.cif_Cu4_K.inp   Cu[0.9775,0.40998,0.25884]