data_global
_chemical_name_mineral 'Pucherite'
loop_
_publ_author_name
'Granzin J'
'Pohl D'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 169 
_journal_year 1969
_journal_page_first 289
_journal_page_last 294
_publ_section_title
;
 Refinement of pucherite, BiVO4
;
_database_code_amcsd 0018353
_chemical_compound_source 'Schneeberg, Saxony'
_chemical_formula_sum 'Bi V O4'
_cell_length_a 5.328
_cell_length_b 5.052
_cell_length_c 12.003
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 323.085
_exptl_crystal_density_diffrn      6.659
_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
Bi   0.25000   0.00000   0.10960
V   0.25000   0.00000   0.39380
O1   0.08300   0.25800   0.46640
O2   0.45800   0.14300   0.30770
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Bi 0.01280 0.00905 0.01095 -0.00123 0.00000 0.00000
V 0.01309 0.00750 0.01022 0.00136 0.00000 0.00000
O1 0.00863 0.01293 0.01971 0.00545 -0.00421 -0.00922
O2 0.01438 0.01681 0.01168 0.00000 0.00292 0.00000