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 'Pucherite'
loop_
_publ_author_name
'Qurashi M M'
'Barnes W H'
_journal_name_full 'American Mineralogist'
_journal_volume 38
_journal_year 1953
_journal_page_first 489
_journal_page_last 500
_publ_section_title
;
 The structure of pucherite, BiVO4
;
_database_code_amcsd 57
_chemical_formula_sum 'Bi V O4'
_cell_length_a 5.332
_cell_length_b 5.06
_cell_length_c 12.02
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_cell_volume 324.299
_exptl_crystal_density_diffrn  6.634
_symmetry_space_group_name_H-M 'P n c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,y,-z'
  '1/2-x,-y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-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
Bi   0.25  0.0  0.1097  0.01646
V   0.25  0.0  0.3938  0.01646
O1   -0.0525  -0.2292  0.0316  0.01646
O2   -0.03  0.3498  0.1955  0.01646