data_1011073
_chemical_name_systematic          'Molybdenum trioxide'
_chemical_name_mineral             'Molybdite'
_chemical_compound_source          'synthetic'
_chemical_formula_structural       'Mo O3'
_chemical_formula_sum              'Mo O3'
_publ_section_title
;
Die Kristallstrukturen der Trioxide von Chrom, Molybdaen und Wolfram
;
_publ_author_name                  'Braekken, H'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    78
_journal_year                      1931
_journal_page_first                484
_journal_page_last                 489
_cell_length_a                     3.954(5)
_cell_length_b                     13.825(5)
_cell_length_c                     3.694(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       201.9
_cell_formula_units_Z              4
_exptl_crystal_density_meas        4.7
_symmetry_space_group_name_H-M     'P b n m'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,1/2+z'
  'x,y,1/2-z'
  '1/2-x,1/2+y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mo6+   6.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Mo1   Mo6+   4 c 0.088 0.101 0.25 1.  0 d
  O1    O2-    4 c 0.088 0.25 0.25 1.  0 d
  O2    O2-    4 c 0.588 0.088 0.25 1.  0 d
  O3    O2-    4 c 0.088 -0.07 0.25 1.  0 d