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
_chemical_name_mineral 'Ferberite'
loop_
_publ_author_name
'Escobar C'
'Cid-Dresdner H'
'Kittl P'
'Dumler I'
_journal_name_full 'American Mineralogist'
_journal_volume 56
_journal_year 1971
_journal_page_first 489
_journal_page_last 498
_publ_section_title
;
 The relation between "light wolframite" and common wolframite
 sample: common wolframite
;
_database_code_amcsd 231
_chemical_formula_sum 'W Fe O4'
_cell_length_a 4.75
_cell_length_b 5.72
_cell_length_c 4.97
_cell_angle_alpha 90.0
_cell_angle_beta 90.17
_cell_angle_gamma 90.0
_cell_volume 135.034
_exptl_crystal_density_diffrn  7.469
_symmetry_space_group_name_H-M 'P 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '-x,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_U_iso_or_equiv
W   0.0  0.1808  0.25  0.00253
Fe   0.5  0.3215  0.75  0.00507
O1   0.2158  0.1068  0.5833  0.0076
O2   0.2623  0.385  0.0912  0.0076
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]