data_global
_chemical_name_mineral 'Molybdite'
loop_
_publ_author_name
'Kihlborg L'
_journal_name_full 'Arkiv for Kemi'
_journal_volume 21 
_journal_year 1963
_journal_page_first 357
_journal_page_last 364
_publ_section_title
;
 Least squares refinement of the crystal structure of molybdenum trioxide
;
_database_code_amcsd 0018982
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mo O3'
_cell_length_a 3.9628
_cell_length_b 13.855
_cell_length_c 3.6964
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 202.949
_exptl_crystal_density_diffrn      4.711
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-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
Mo   0.08669   0.10164   0.25000   0.00291
O1   0.49940   0.43513   0.25000   0.00711
O2   0.52120   0.08657   0.25000   0.00795
O3   0.03730   0.22140   0.25000   0.01204