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 'Margaritasite'
loop_
_publ_author_name
'Appleman D E'
'Evans H T'
_journal_name_full 'American Mineralogist'
_journal_volume 50
_journal_year 1965
_journal_page_first 825
_journal_page_last 842
_publ_section_title
;
 The crystal structures of synthetic anhydrous carnotite, K2(UO2)2V2O8, and
 its cesium analogue, Cs2(UO2)2V2O8
;
_database_code_amcsd 135
_chemical_formula_sum 'Cs U V O6'
_cell_length_a 10.51
_cell_length_b 8.45
_cell_length_c 7.32
_cell_angle_alpha 90.0
_cell_angle_beta 106.08
_cell_angle_gamma 90.0
_cell_volume 624.652
_exptl_crystal_density_diffrn  5.507
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-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
Cs   0.6358  0.7681  0.4576  0.01849
U   0.6813  0.4795  0.9873  0.00253
V   0.944  0.6495  0.8959  0.00025
O1   0.6238  0.4382  0.7415  0.01621
O2   0.7406  0.5226  0.233  0.01153
O3   0.5098  0.6525  0.9667  0.00279
O4   0.9347  0.6342  0.6603  0.01798
O5   0.8953  0.4424  0.982  0.00798
O6   0.7786  0.7077  0.9418  0.0095
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]