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-51R'
loop_
_publ_author_name
'Ramsdell L S'
_journal_name_full 'American Mineralogist'
_journal_volume 32
_journal_year 1947
_journal_page_first 64
_journal_page_last 82
_publ_section_title
;
 Studies on silicon carbide
;
_database_code_amcsd 38
_chemical_formula_sum 'Si17 C17'
_cell_length_a 3.073
_cell_length_b 3.073
_cell_length_c 128.17
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 1048.195
_exptl_crystal_density_diffrn  3.24
_symmetry_space_group_name_H-M 'R 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+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  0.039
Si   0.0  0.0  0.118
Si   0.0  0.0  0.157
Si   0.0  0.0  0.235
Si   0.0  0.0  0.275
Si   0.0  0.0  0.353
Si   0.0  0.0  0.412
Si   0.0  0.0  0.471
Si   0.0  0.0  0.529
Si   0.0  0.0  0.588
Si   0.0  0.0  0.647
Si   0.0  0.0  0.725
Si   0.0  0.0  0.765
Si   0.0  0.0  0.843
Si   0.0  0.0  0.882
Si   0.0  0.0  0.961
C   0.0  0.0  0.015
C   0.0  0.0  0.054
C   0.0  0.0  0.132
C   0.0  0.0  0.172
C   0.0  0.0  0.25
C   0.0  0.0  0.289
C   0.0  0.0  0.368
C   0.0  0.0  0.426
C   0.0  0.0  0.485
C   0.0  0.0  0.544
C   0.0  0.0  0.603
C   0.0  0.0  0.662
C   0.0  0.0  0.74
C   0.0  0.0  0.779
C   0.0  0.0  0.858
C   0.0  0.0  0.897
C   0.0  0.0  0.975
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]