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-VI'
loop_
_publ_author_name
'Ramsdell L S'
_journal_name_full 'American Mineralogist'
_journal_volume 29
_journal_year 1944
_journal_page_first 519
_journal_page_last 525
_publ_section_title
;
 The crystal structure of alpha-SiC, type VI
;
_database_code_amcsd 32
_chemical_formula_sum 'Si11 C11'
_cell_length_a 3.073
_cell_length_b 3.073
_cell_length_c 82.94
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 678.297
_exptl_crystal_density_diffrn  3.239
_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  0.061
Si   0.0  0.0  0.182
Si   0.0  0.0  0.242
Si   0.0  0.0  0.364
Si   0.0  0.0  0.455
Si   0.0  0.0  0.546
Si   0.0  0.0  0.636
Si   0.0  0.0  0.758
Si   0.0  0.0  0.818
Si   0.0  0.0  0.939
C   0.0  0.0  0.023
C   0.0  0.0  0.083
C   0.0  0.0  0.205
C   0.0  0.0  0.265
C   0.0  0.0  0.386
C   0.0  0.0  0.477
C   0.0  0.0  0.568
C   0.0  0.0  0.659
C   0.0  0.0  0.78
C   0.0  0.0  0.841
C   0.0  0.0  0.962
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]