Larixite: Crystal Structures for X-ray Absorption Spectroscopy About

Search the American Mineralogist Crystal Structures
(example: hem*)
(example: O, Fe, Si)

Generate XAS Input File

CIF Text:


data_global
_chemical_name_mineral 'Doloresite'
loop_
_publ_author_name
'Evans H T'
'Mrose M E'
_journal_name_full 'American Mineralogist'
_journal_volume 45
_journal_year 1960
_journal_page_first 1144
_journal_page_last 1166
_publ_section_title
;
 A crystal chemical study of the vanadium oxide minerals, haggite and doloresite
;
_database_code_amcsd 95
_chemical_formula_sum 'V3 O8'
_cell_length_a 19.64
_cell_length_b 2.99
_cell_length_c 4.83
_cell_angle_alpha 90.0
_cell_angle_beta 103.92
_cell_angle_gamma 90.0
_cell_volume 275.305
_exptl_crystal_density_diffrn  3.388
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
V1   0.0  0.0  0.5  0.02862
V2   0.1766  0.0  0.368  0.03078
O1   0.47  0.0  0.248  0.06928
O2   0.095  0.0  0.427  0.1288
O3   0.665  0.0  0.095  0.06548
O4   0.286  0.0  0.362  0.05459